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

C11H14N6O — CID 64530064

IUPAC2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCCc1ncn[nH]1
InChIInChI=1S/C11H14N6O/c12-10(18)8-3-1-5-13-11(8)14-6-2-4-9-15-7-16-17-9/h1,3,5,7H,2,4,6H2,(H2,12,18)(H,13,14)(H,15,16,17)
InChIKeyNSYWADQFVKVHKN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.34
Rot. Bonds6

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

2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide (PubChem CID 64530064) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide
PubChem CID64530064
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCCc1ncn[nH]1
InChIInChI=1S/C11H14N6O/c12-10(18)8-3-1-5-13-11(8)14-6-2-4-9-15-7-16-17-9/h1,3,5,7H,2,4,6H2,(H2,12,18)(H,13,14)(H,15,16,17)
InChIKeyNSYWADQFVKVHKN-UHFFFAOYSA-N
XLogP0.34
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-(butylamino)pyridine-3-carboxamide
CID 29031037
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
3-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 64530464
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875536
3-amino-2,2-dimethyl-3-sulfanylidene-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64529990
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
N-[3-(1H-1,2,4-triazol-5-yl)propyl]phthalazin-1-amine
CID 64532036

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide (CID 64530064) is 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide is NC(=O)c1cccnc1NCCCc1ncn[nH]1.
What is the InChIKey of 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide?
The InChIKey is NSYWADQFVKVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-10(18)8-3-1-5-13-11(8)14-6-2-4-9-15-7-16-17-9/h1,3,5,7H,2,4,6H2,(H2,12,18)(H,13,14)(H,15,16,17).
What are the key properties of 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide?
2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 64530064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).