1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile

C13H14N6 — CID 80635344

IUPAC1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
SMILESCc1cc(CNC2CC2)cnc1-n1cnc(C#N)n1
InChIInChI=1S/C13H14N6/c1-9-4-10(6-15-11-2-3-11)7-16-13(9)19-8-17-12(5-14)18-19/h4,7-8,11,15H,2-3,6H2,1H3
InChIKeyXAEMRFBFAYBUSR-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.09
Rot. Bonds4

About 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile

1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 80635344) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
PubChem CID80635344
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
SMILESCc1cc(CNC2CC2)cnc1-n1cnc(C#N)n1
InChIInChI=1S/C13H14N6/c1-9-4-10(6-15-11-2-3-11)7-16-13(9)19-8-17-12(5-14)18-19/h4,7-8,11,15H,2-3,6H2,1H3
InChIKeyXAEMRFBFAYBUSR-UHFFFAOYSA-N
XLogP1.09
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-1,2,4-triazole-3-carbonitrile
CID 55157728
N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 80635691
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile
CID 80635421
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-1,2,4-triazole-3-carbonitrile
CID 81150212
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 80637553
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635458
N-[[5-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499364
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80630739
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636296
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile (CID 80635344) is 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile is Cc1cc(CNC2CC2)cnc1-n1cnc(C#N)n1.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is XAEMRFBFAYBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-4-10(6-15-11-2-3-11)7-16-13(9)19-8-17-12(5-14)18-19/h4,7-8,11,15H,2-3,6H2,1H3.
What are the key properties of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile?
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 80635344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).