N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine

C14H16N6 — CID 72933242

IUPACN,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(-c2cccc(-c3ccnn3C)c2)n1
InChIInChI=1S/C14H16N6/c1-19(2)14-16-13(17-18-14)11-6-4-5-10(9-11)12-7-8-15-20(12)3/h4-9H,1-3H3,(H,16,17,18)
InChIKeyKSZUXMUXKIOMEX-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.94
Rot. Bonds3

About N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine

N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 72933242) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine
PubChem CID72933242
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(-c2cccc(-c3ccnn3C)c2)n1
InChIInChI=1S/C14H16N6/c1-19(2)14-16-13(17-18-14)11-6-4-5-10(9-11)12-7-8-15-20(12)3/h4-9H,1-3H3,(H,16,17,18)
InChIKeyKSZUXMUXKIOMEX-UHFFFAOYSA-N
XLogP1.94
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine (CID 72933242) is N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine is CN(C)c1n[nH]c(-c2cccc(-c3ccnn3C)c2)n1.
What is the InChIKey of N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is KSZUXMUXKIOMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-19(2)14-16-13(17-18-14)11-6-4-5-10(9-11)12-7-8-15-20(12)3/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine?
N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 268.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 72933242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).