1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea

C22H32N26O5 — CID 59248665

IUPAC1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea
SMILESO=C(NCCN(CCN(CCN(CCNC(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)Nc1nn[nH]n1
InChIInChI=1S/C22H32N26O5/c49-18(33-13-25-9-29-38-13)23-1-3-46(20(51)35-14-26-10-30-39-14)5-7-48(22(53)37-16-28-12-32-41-16)8-6-47(21(52)36-15-27-11-31-40-15)4-2-24-19(50)34-17-42-44-45-43-17/h9-12H,1-8H2,(H2,26,30,35,39,51)(H2,27,31,36,40,52)(H2,28,32,37,41,53)(H3,23,25,29,33,38,49)(H3,24,34,42,43,44,45,50)
InChIKeyJAZSYRKDLYCTHB-UHFFFAOYSA-N
MW740.67 g/mol
LogP-2.78
Rot. Bonds17

About 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea

1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea (PubChem CID 59248665) has the molecular formula C22H32N26O5 and a molecular weight of 740.67 g/mol. Its IUPAC name is 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea.

Molecular Properties

Compound Name1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea
PubChem CID59248665
Molecular FormulaC22H32N26O5
Molecular Weight740.67 g/mol
Exact Mass740.30
IUPAC Name1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea
SMILESO=C(NCCN(CCN(CCN(CCNC(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)Nc1nn[nH]n1
InChIInChI=1S/C22H32N26O5/c49-18(33-13-25-9-29-38-13)23-1-3-46(20(51)35-14-26-10-30-39-14)5-7-48(22(53)37-16-28-12-32-41-16)8-6-47(21(52)36-15-27-11-31-40-15)4-2-24-19(50)34-17-42-44-45-43-17/h9-12H,1-8H2,(H2,26,30,35,39,51)(H2,27,31,36,40,52)(H2,28,32,37,41,53)(H3,23,25,29,33,38,49)(H3,24,34,42,43,44,45,50)
InChIKeyJAZSYRKDLYCTHB-UHFFFAOYSA-N
XLogP-2.78
TPSA400.02 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.67
LogP ≤ 5-2.78
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea with MolForge

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Related Compounds

1-(1H-1,2,4-triazol-5-yl)-3-[2-[2,4,6-trioxo-3,5-bis[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]-1,3,5-triazinan-1-yl]ethyl]urea
CID 59248647
1,1-bis[2-[2-(methylcarbamoylamino)ethyl-(1H-1,2,4-triazol-5-ylcarbamoyl)amino]ethyl]-3-(1H-1,2,4-triazol-5-yl)urea
CID 59248650
3-(1H-1,2,4-triazol-5-yl)-1,1-bis[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]urea
CID 59248655
3-(1H-1,2,4-triazol-5-yl)-1-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]urea
CID 59248685
1-[2-[bis[2-(methylcarbamoylamino)ethyl]amino]ethyl]-3-methylurea;1,1-bis[2-(methylcarbamoylamino)ethyl]-3-(2H-tetrazol-5-yl)urea;1,1-bis[2-[2-(methylcarbamoylamino)ethyl-(1H-1,2,4-triazol-5-ylcarbamoyl)amino]ethyl]-3-(1H-1,2,4-triazol-5-yl)urea;1,1-bis[2-(methylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)urea;2-[bis[2-(methylcarbamoyloxy)ethyl]amino]ethyl N-methylcarbamate
CID 160620141

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea?
The IUPAC name of 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea (CID 59248665) is 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea.
What is the SMILES notation for 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea?
The canonical SMILES for 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea is O=C(NCCN(CCN(CCN(CCNC(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)C(=O)Nc1ncn[nH]1)Nc1nn[nH]n1.
What is the InChIKey of 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea?
The InChIKey is JAZSYRKDLYCTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N26O5/c49-18(33-13-25-9-29-38-13)23-1-3-46(20(51)35-14-26-10-30-39-14)5-7-48(22(53)37-16-28-12-32-41-16)8-6-47(21(52)36-15-27-11-31-40-15)4-2-24-19(50)34-17-42-44-45-43-17/h9-12H,1-8H2,(H2,26,30,35,39,51)(H2,27,31,36,40,52)(H2,28,32,37,41,53)(H3,23,25,29,33,38,49)(H3,24,34,42,43,44,45,50).
What are the key properties of 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea?
1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea has a molecular weight of 740.67 g/mol, XLogP of -2.78, 17 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2H-tetrazol-5-ylcarbamoylamino)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-[1H-1,2,4-triazol-5-ylcarbamoyl-[2-(1H-1,2,4-triazol-5-ylcarbamoylamino)ethyl]amino]ethyl]amino]ethyl]urea is sourced from PubChem (CID 59248665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).