5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole

C9H13N5 — CID 2805660

IUPAC5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole
SMILESCc1nn(C)c(C)c1-n1nncc1C
InChIInChI=1S/C9H13N5/c1-6-5-10-12-14(6)9-7(2)11-13(4)8(9)3/h5H,1-4H3
InChIKeyHMYPRNRPYXKLOU-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.93
Rot. Bonds1

About 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole

5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole (PubChem CID 2805660) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole.

Molecular Properties

Compound Name5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole
PubChem CID2805660
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole
SMILESCc1nn(C)c(C)c1-n1nncc1C
InChIInChI=1S/C9H13N5/c1-6-5-10-12-14(6)9-7(2)11-13(4)8(9)3/h5H,1-4H3
InChIKeyHMYPRNRPYXKLOU-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole?
The IUPAC name of 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole (CID 2805660) is 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole.
What is the SMILES notation for 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole?
The canonical SMILES for 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole is Cc1nn(C)c(C)c1-n1nncc1C.
What is the InChIKey of 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole?
The InChIKey is HMYPRNRPYXKLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6-5-10-12-14(6)9-7(2)11-13(4)8(9)3/h5H,1-4H3.
What are the key properties of 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole?
5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole has a molecular weight of 191.24 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole is sourced from PubChem (CID 2805660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).