4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine

C14H16N6 — CID 1481702

IUPAC4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1Cc1ccccc1
InChIInChI=1S/C14H16N6/c1-10-17-18-14(12-8-16-19(2)13(12)15)20(10)9-11-6-4-3-5-7-11/h3-8H,9,15H2,1-2H3
InChIKeyXYPCMOMATSVHSQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds3

About 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine

4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine (PubChem CID 1481702) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine
PubChem CID1481702
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1Cc1ccccc1
InChIInChI=1S/C14H16N6/c1-10-17-18-14(12-8-16-19(2)13(12)15)20(10)9-11-6-4-3-5-7-11/h3-8H,9,15H2,1-2H3
InChIKeyXYPCMOMATSVHSQ-UHFFFAOYSA-N
XLogP1.62
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine (CID 1481702) is 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine is Cc1nnc(-c2cnn(C)c2N)n1Cc1ccccc1.
What is the InChIKey of 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine?
The InChIKey is XYPCMOMATSVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10-17-18-14(12-8-16-19(2)13(12)15)20(10)9-11-6-4-3-5-7-11/h3-8H,9,15H2,1-2H3.
What are the key properties of 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine?
4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 1481702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).