N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C12H15N5 — CID 80635691

IUPACN-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1-n1cncn1
InChIInChI=1S/C12H15N5/c1-9-4-10(5-14-11-2-3-11)6-15-12(9)17-8-13-7-16-17/h4,6-8,11,14H,2-3,5H2,1H3
InChIKeyIJIVBIUXTUCFNO-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.22
Rot. Bonds4

About N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80635691) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80635691
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1-n1cncn1
InChIInChI=1S/C12H15N5/c1-9-4-10(5-14-11-2-3-11)6-15-12(9)17-8-13-7-16-17/h4,6-8,11,14H,2-3,5H2,1H3
InChIKeyIJIVBIUXTUCFNO-UHFFFAOYSA-N
XLogP1.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
CID 80635344
N-[[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55059221
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-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
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]imidazole-2-carbonitrile
CID 80635421
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058
4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one
CID 80638580

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 80635691) is N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cnc1-n1cncn1.
What is the InChIKey of N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is IJIVBIUXTUCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9-4-10(5-14-11-2-3-11)6-15-12(9)17-8-13-7-16-17/h4,6-8,11,14H,2-3,5H2,1H3.
What are the key properties of N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 229.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80635691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).