3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole

C9H13N5 — CID 18726606

IUPAC3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole
SMILESCc1cc(-c2nnc(C)n2C)nn1C
InChIInChI=1S/C9H13N5/c1-6-5-8(12-14(6)4)9-11-10-7(2)13(9)3/h5H,1-4H3
InChIKeyRZYIXXUONIOAIJ-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.83
Rot. Bonds1

About 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole

3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole (PubChem CID 18726606) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole
PubChem CID18726606
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole
SMILESCc1cc(-c2nnc(C)n2C)nn1C
InChIInChI=1S/C9H13N5/c1-6-5-8(12-14(6)4)9-11-10-7(2)13(9)3/h5H,1-4H3
InChIKeyRZYIXXUONIOAIJ-UHFFFAOYSA-N
XLogP0.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole (CID 18726606) is 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole is Cc1cc(-c2nnc(C)n2C)nn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole?
The InChIKey is RZYIXXUONIOAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6-5-8(12-14(6)4)9-11-10-7(2)13(9)3/h5H,1-4H3.
What are the key properties of 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole?
3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole has a molecular weight of 191.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 18726606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).