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

C13H15N7 — CID 99604673

IUPACN-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCn1cc(CNc2ccc(-c3nncn3C)cn2)cn1
InChIInChI=1S/C13H15N7/c1-19-9-16-18-13(19)11-3-4-12(15-7-11)14-5-10-6-17-20(2)8-10/h3-4,6-9H,5H2,1-2H3,(H,14,15)
InChIKeyIFJSHXJFXGZTAZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.22
Rot. Bonds4

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

N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 99604673) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID99604673
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCn1cc(CNc2ccc(-c3nncn3C)cn2)cn1
InChIInChI=1S/C13H15N7/c1-19-9-16-18-13(19)11-3-4-12(15-7-11)14-5-10-6-17-20(2)8-10/h3-4,6-9H,5H2,1-2H3,(H,14,15)
InChIKeyIFJSHXJFXGZTAZ-UHFFFAOYSA-N
XLogP1.22
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 99604673) is N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is Cn1cc(CNc2ccc(-c3nncn3C)cn2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is IFJSHXJFXGZTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-19-9-16-18-13(19)11-3-4-12(15-7-11)14-5-10-6-17-20(2)8-10/h3-4,6-9H,5H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 99604673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).