5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide

C11H15N7O — CID 114090567

IUPAC5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(NCCCn2ccnn2)ncc1N
InChIInChI=1S/C11H15N7O/c12-9-7-15-10(6-8(9)11(13)19)14-2-1-4-18-5-3-16-17-18/h3,5-7H,1-2,4,12H2,(H2,13,19)(H,14,15)
InChIKeyPGVXWQZPPKBPQP-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.14
Rot. Bonds6

About 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide

5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide (PubChem CID 114090567) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide
PubChem CID114090567
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(NCCCn2ccnn2)ncc1N
InChIInChI=1S/C11H15N7O/c12-9-7-15-10(6-8(9)11(13)19)14-2-1-4-18-5-3-16-17-18/h3,5-7H,1-2,4,12H2,(H2,13,19)(H,14,15)
InChIKeyPGVXWQZPPKBPQP-UHFFFAOYSA-N
XLogP-0.14
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-4-carboxamide
CID 106341882
2-amino-4-[3-(triazol-1-yl)propylamino]benzoic acid
CID 104500898
1-[2-amino-4-[3-(triazol-1-yl)propylamino]phenyl]ethanone
CID 104529163
5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxamide
CID 106039561
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide
CID 114167701
2-methylsulfanyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-4,6-diamine
CID 113413349
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671
6-amino-7-[3-(triazol-1-yl)propylamino]-3H-quinazolin-4-one
CID 136824779
2-methyl-3-N-[3-(triazol-1-yl)propyl]benzene-1,3-diamine
CID 113412414
5-amino-2-[(4-methylcyclohexyl)methylamino]pyridine-4-carboxamide
CID 114090347

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide (CID 114090567) is 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide is NC(=O)c1cc(NCCCn2ccnn2)ncc1N.
What is the InChIKey of 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide?
The InChIKey is PGVXWQZPPKBPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-9-7-15-10(6-8(9)11(13)19)14-2-1-4-18-5-3-16-17-18/h3,5-7H,1-2,4,12H2,(H2,13,19)(H,14,15).
What are the key properties of 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide?
5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide is sourced from PubChem (CID 114090567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).