2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid

C14H23N9O3 — CID 155400255

IUPAC2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid
SMILESCC(=O)NCCn1cc(CN(C)Cc2cn(CCNC(=O)O)nn2)nn1
InChIInChI=1S/C14H23N9O3/c1-11(24)15-3-5-22-9-12(17-19-22)7-21(2)8-13-10-23(20-18-13)6-4-16-14(25)26/h9-10,16H,3-8H2,1-2H3,(H,15,24)(H,25,26)
InChIKeyGSNDGMOOIBGPCL-UHFFFAOYSA-N
MW365.40 g/mol
LogP-1.09
Rot. Bonds10

About 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid

2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid (PubChem CID 155400255) has the molecular formula C14H23N9O3 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid
PubChem CID155400255
Molecular FormulaC14H23N9O3
Molecular Weight365.40 g/mol
Exact Mass365.19
IUPAC Name2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid
SMILESCC(=O)NCCn1cc(CN(C)Cc2cn(CCNC(=O)O)nn2)nn1
InChIInChI=1S/C14H23N9O3/c1-11(24)15-3-5-22-9-12(17-19-22)7-21(2)8-13-10-23(20-18-13)6-4-16-14(25)26/h9-10,16H,3-8H2,1-2H3,(H,15,24)(H,25,26)
InChIKeyGSNDGMOOIBGPCL-UHFFFAOYSA-N
XLogP-1.09
TPSA143.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
CID 170201876
N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800
3,3-dimethyl-5-[methyl-[[1-(2-methylpropyl)triazol-4-yl]methyl]amino]pentan-2-one
CID 170303022
N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide
CID 162765450
N-[3-[4-[[iodo(propan-2-yl)amino]methyl]triazol-1-yl]propyl]-2-methylpropanamide
CID 155459745
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193581
1-(3,5-dichlorophenyl)-N-methyl-N-[(1-propyltriazol-4-yl)methyl]methanamine
CID 166343900
2-amino-3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]propanoic acid
CID 116734904
2-[1-[3-(dimethylamino)propyl]triazol-4-yl]acetic acid
CID 107461296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid?
The IUPAC name of 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid (CID 155400255) is 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid?
The canonical SMILES for 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid is CC(=O)NCCn1cc(CN(C)Cc2cn(CCNC(=O)O)nn2)nn1.
What is the InChIKey of 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid?
The InChIKey is GSNDGMOOIBGPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N9O3/c1-11(24)15-3-5-22-9-12(17-19-22)7-21(2)8-13-10-23(20-18-13)6-4-16-14(25)26/h9-10,16H,3-8H2,1-2H3,(H,15,24)(H,25,26).
What are the key properties of 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid?
2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid has a molecular weight of 365.40 g/mol, XLogP of -1.09, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(2-acetamidoethyl)triazol-4-yl]methyl-methylamino]methyl]triazol-1-yl]ethylcarbamic acid is sourced from PubChem (CID 155400255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).