3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine

C11H15N5 — CID 62465803

IUPAC3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1Cn1nc(C)nc1C
InChIInChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)7-10-5-4-6-13-11(10)12-3/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyMZEXEGDXBNECPD-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.38
Rot. Bonds3

About 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 62465803) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
PubChem CID62465803
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1Cn1nc(C)nc1C
InChIInChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)7-10-5-4-6-13-11(10)12-3/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyMZEXEGDXBNECPD-UHFFFAOYSA-N
XLogP1.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine (CID 62465803) is 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine is CNc1ncccc1Cn1nc(C)nc1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is MZEXEGDXBNECPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-14-9(2)16(15-8)7-10-5-4-6-13-11(10)12-3/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine?
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62465803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).