3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole

C11H15N5 — CID 50957974

IUPAC3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole
SMILESCc1n[nH]c(C)c1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C11H15N5/c1-6-9(7(2)14-13-6)5-10-12-11(16-15-10)8-3-4-8/h8H,3-5H2,1-2H3,(H,13,14)(H,12,15,16)
InChIKeyWHLVTBDXVQJKNV-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.61
Rot. Bonds3

About 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole

3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole (PubChem CID 50957974) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole
PubChem CID50957974
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole
SMILESCc1n[nH]c(C)c1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C11H15N5/c1-6-9(7(2)14-13-6)5-10-12-11(16-15-10)8-3-4-8/h8H,3-5H2,1-2H3,(H,13,14)(H,12,15,16)
InChIKeyWHLVTBDXVQJKNV-UHFFFAOYSA-N
XLogP1.61
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole (CID 50957974) is 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole is Cc1n[nH]c(C)c1Cc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole?
The InChIKey is WHLVTBDXVQJKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-6-9(7(2)14-13-6)5-10-12-11(16-15-10)8-3-4-8/h8H,3-5H2,1-2H3,(H,13,14)(H,12,15,16).
What are the key properties of 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole?
3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole has a molecular weight of 217.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 50957974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).