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

C15H21N5 — CID 62294480

IUPACN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(-n2nc(C)nc2C)n1
InChIInChI=1S/C15H21N5/c1-9-7-10(2)17-15(14(9)8-16-13-5-6-13)20-12(4)18-11(3)19-20/h7,13,16H,5-6,8H2,1-4H3
InChIKeyGVZMHBMOMLXCBN-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.15
Rot. Bonds4

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

N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62294480) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62294480
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(-n2nc(C)nc2C)n1
InChIInChI=1S/C15H21N5/c1-9-7-10(2)17-15(14(9)8-16-13-5-6-13)20-12(4)18-11(3)19-20/h7,13,16H,5-6,8H2,1-4H3
InChIKeyGVZMHBMOMLXCBN-UHFFFAOYSA-N
XLogP2.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[2-(4,5-dimethylimidazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62351327
N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
CID 55059747
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethylpyridin-2-amine
CID 55054869
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62130836
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62281278
N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62285086
N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62973725
N-[[2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 61348078
3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 62281698
3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
CID 63940645
N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]cyclopropanamine
CID 62290425
3-[(cyclopropylamino)methyl]-N,4,6-trimethyl-N-propylpyridin-2-amine
CID 62279849

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine (CID 62294480) is N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(C)c(CNC2CC2)c(-n2nc(C)nc2C)n1.
What is the InChIKey of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is GVZMHBMOMLXCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-9-7-10(2)17-15(14(9)8-16-13-5-6-13)20-12(4)18-11(3)19-20/h7,13,16H,5-6,8H2,1-4H3.
What are the key properties of N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 271.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62294480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).