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

C13H10N6S — CID 133293696

IUPAC6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2nc(-c3cccs3)n[nH]2)nc1
InChIInChI=1S/C13H10N6S/c14-6-9-3-4-11(15-7-9)16-8-12-17-13(19-18-12)10-2-1-5-20-10/h1-5,7H,8H2,(H,15,16)(H,17,18,19)
InChIKeyPKPMVCJJZPSTDO-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.41
Rot. Bonds4

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

6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 133293696) has the molecular formula C13H10N6S and a molecular weight of 282.33 g/mol. Its IUPAC name is 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile
PubChem CID133293696
Molecular FormulaC13H10N6S
Molecular Weight282.33 g/mol
Exact Mass282.07
IUPAC Name6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2nc(-c3cccs3)n[nH]2)nc1
InChIInChI=1S/C13H10N6S/c14-6-9-3-4-11(15-7-9)16-8-12-17-13(19-18-12)10-2-1-5-20-10/h1-5,7H,8H2,(H,15,16)(H,17,18,19)
InChIKeyPKPMVCJJZPSTDO-UHFFFAOYSA-N
XLogP2.41
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62732644
2-chloro-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]benzonitrile
CID 133355288
N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide
CID 133355290
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133327002
6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine
CID 133295366
4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 133372541
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62733596
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789

Frequently Asked Questions

What is the IUPAC name of 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile (CID 133293696) is 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCc2nc(-c3cccs3)n[nH]2)nc1.
What is the InChIKey of 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is PKPMVCJJZPSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S/c14-6-9-3-4-11(15-7-9)16-8-12-17-13(19-18-12)10-2-1-5-20-10/h1-5,7H,8H2,(H,15,16)(H,17,18,19).
What are the key properties of 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile?
6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 282.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133293696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).