3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole

C9H13N5 — CID 103123719

IUPAC3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1-c1ccn(C)n1
InChIInChI=1S/C9H13N5/c1-7(2)14-6-10-11-9(14)8-4-5-13(3)12-8/h4-7H,1-3H3
InChIKeyQXIUWUDJTNQBRA-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.26
Rot. Bonds2

About 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole

3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole (PubChem CID 103123719) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole
PubChem CID103123719
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1-c1ccn(C)n1
InChIInChI=1S/C9H13N5/c1-7(2)14-6-10-11-9(14)8-4-5-13(3)12-8/h4-7H,1-3H3
InChIKeyQXIUWUDJTNQBRA-UHFFFAOYSA-N
XLogP1.26
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole (CID 103123719) is 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole is CC(C)n1cnnc1-c1ccn(C)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole?
The InChIKey is QXIUWUDJTNQBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7(2)14-6-10-11-9(14)8-4-5-13(3)12-8/h4-7H,1-3H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole?
3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole has a molecular weight of 191.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 103123719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).