3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile

C11H13N7 — CID 103468558

IUPAC3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCCc2ncn[nH]2)ccc1N
InChIInChI=1S/C11H13N7/c12-6-9-8(13)3-4-10(17-9)14-5-1-2-11-15-7-16-18-11/h3-4,7H,1-2,5,13H2,(H,14,17)(H,15,16,18)
InChIKeyGUUWYITWKQHFNJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.70
Rot. Bonds5

About 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile

3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile (PubChem CID 103468558) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile
PubChem CID103468558
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCCc2ncn[nH]2)ccc1N
InChIInChI=1S/C11H13N7/c12-6-9-8(13)3-4-10(17-9)14-5-1-2-11-15-7-16-18-11/h3-4,7H,1-2,5,13H2,(H,14,17)(H,15,16,18)
InChIKeyGUUWYITWKQHFNJ-UHFFFAOYSA-N
XLogP0.70
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
8-N-[3-(1H-1,2,4-triazol-5-yl)propyl]isoquinoline-5,8-diamine
CID 103138436
3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile
CID 103467331
5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine
CID 107874725
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64529648
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
CID 64548244
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296729
3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103468827
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
3-amino-6-[2-(2-hydroxyethoxy)ethylamino]pyridine-2-carbonitrile
CID 103468258

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile (CID 103468558) is 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile is N#Cc1nc(NCCCc2ncn[nH]2)ccc1N.
What is the InChIKey of 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile?
The InChIKey is GUUWYITWKQHFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c12-6-9-8(13)3-4-10(17-9)14-5-1-2-11-15-7-16-18-11/h3-4,7H,1-2,5,13H2,(H,14,17)(H,15,16,18).
What are the key properties of 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile?
3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).