2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine

C13H19N5 — CID 113379441

IUPAC2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)cc(-n2cncn2)n1
InChIInChI=1S/C13H19N5/c1-10(2)6-14-7-12-4-11(3)17-13(5-12)18-9-15-8-16-18/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyYWPFMHNTHQKTFD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.72
Rot. Bonds5

About 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 113379441) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID113379441
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)cc(-n2cncn2)n1
InChIInChI=1S/C13H19N5/c1-10(2)6-14-7-12-4-11(3)17-13(5-12)18-9-15-8-16-18/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyYWPFMHNTHQKTFD-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 113379441) is 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine is Cc1cc(CNCC(C)C)cc(-n2cncn2)n1.
What is the InChIKey of 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is YWPFMHNTHQKTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10(2)6-14-7-12-4-11(3)17-13(5-12)18-9-15-8-16-18/h4-5,8-10,14H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-6-(1,2,4-triazol-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 113379441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).