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

C13H19N5 — CID 80634916

IUPAC1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1nc(C)n(-c2ncc(CC(C)N)cc2C)n1
InChIInChI=1S/C13H19N5/c1-8-5-12(6-9(2)14)7-15-13(8)18-11(4)16-10(3)17-18/h5,7,9H,6,14H2,1-4H3
InChIKeyYFNGDIJBNQMHMW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.48
Rot. Bonds3

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

1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine (PubChem CID 80634916) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
PubChem CID80634916
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1nc(C)n(-c2ncc(CC(C)N)cc2C)n1
InChIInChI=1S/C13H19N5/c1-8-5-12(6-9(2)14)7-15-13(8)18-11(4)16-10(3)17-18/h5,7,9H,6,14H2,1-4H3
InChIKeyYFNGDIJBNQMHMW-UHFFFAOYSA-N
XLogP1.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine (CID 80634916) is 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine is Cc1nc(C)n(-c2ncc(CC(C)N)cc2C)n1.
What is the InChIKey of 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is YFNGDIJBNQMHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-5-12(6-9(2)14)7-15-13(8)18-11(4)16-10(3)17-18/h5,7,9H,6,14H2,1-4H3.
What are the key properties of 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine?
1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80634916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).