5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide

C12H20N10O2 — CID 74229591

IUPAC5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide
SMILESNc1ncnn1C(=O)NCCCCCCNC(=O)n1ncnc1N
InChIInChI=1S/C12H20N10O2/c13-9-17-7-19-21(9)11(23)15-5-3-1-2-4-6-16-12(24)22-10(14)18-8-20-22/h7-8H,1-6H2,(H,15,23)(H,16,24)(H2,13,17,19)(H2,14,18,20)
InChIKeyDRHKZSDDAGTYHB-UHFFFAOYSA-N
MW336.36 g/mol
LogP-0.59
Rot. Bonds7

About 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide

5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide (PubChem CID 74229591) has the molecular formula C12H20N10O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide
PubChem CID74229591
Molecular FormulaC12H20N10O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide
SMILESNc1ncnn1C(=O)NCCCCCCNC(=O)n1ncnc1N
InChIInChI=1S/C12H20N10O2/c13-9-17-7-19-21(9)11(23)15-5-3-1-2-4-6-16-12(24)22-10(14)18-8-20-22/h7-8H,1-6H2,(H,15,23)(H,16,24)(H2,13,17,19)(H2,14,18,20)
InChIKeyDRHKZSDDAGTYHB-UHFFFAOYSA-N
XLogP-0.59
TPSA171.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-hexyl-1,2,4-triazole-1-carboxamide
CID 137637830
3-amino-N-[6-[(3-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide
CID 137638030
3-amino-N-[8-[(3-amino-1,2,4-triazole-1-carbonyl)amino]octyl]-1,2,4-triazole-1-carboxamide
CID 137641926
3-amino-N-octadecyl-1,2,4-triazole-1-carboxamide
CID 137649591
3-amino-N-[4-[(3-amino-1,2,4-triazole-1-carbonyl)amino]butyl]-1,2,4-triazole-1-carboxamide
CID 137654117
3-amino-N-[12-[(3-amino-1,2,4-triazole-1-carbonyl)amino]dodecyl]-1,2,4-triazole-1-carboxamide
CID 137658609
ST50907140
CID 282309
1-(1H-1,2,4-triazol-5-yl)-3-[4-(1H-1,2,4-triazol-5-ylcarbamoylamino)butyl]urea
CID 57646315
1-(1H-1,2,4-triazol-5-yl)-3-[1-(1H-1,2,4-triazol-5-ylcarbamoylamino)butyl]urea
CID 89191622
1-[1-[6-(3-Amino-5-azido-1,2,4-triazol-1-yl)-1,2,4,5-tetrazin-3-yl]-5-azido-1,2,4-triazol-3-yl]-3-(6-aminohexyl)urea
CID 121313933
1-(6-isocyanatohexyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 139401926
N-cyclohexyl-1,2,4-triazolylcarboxamide
CID 20788037

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide?
The IUPAC name of 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide (CID 74229591) is 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide is Nc1ncnn1C(=O)NCCCCCCNC(=O)n1ncnc1N.
What is the InChIKey of 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide?
The InChIKey is DRHKZSDDAGTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N10O2/c13-9-17-7-19-21(9)11(23)15-5-3-1-2-4-6-16-12(24)22-10(14)18-8-20-22/h7-8H,1-6H2,(H,15,23)(H,16,24)(H2,13,17,19)(H2,14,18,20).
What are the key properties of 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide?
5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide has a molecular weight of 336.36 g/mol, XLogP of -0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[6-[(5-amino-1,2,4-triazole-1-carbonyl)amino]hexyl]-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 74229591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).