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

C11H17N5 — CID 115395609

IUPAC3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCc1cc(-c2nncn2CC(C)C)n(C)n1
InChIInChI=1S/C11H17N5/c1-8(2)6-16-7-12-13-11(16)10-5-9(3)14-15(10)4/h5,7-8H,6H2,1-4H3
InChIKeyRHTUCWNFERQLNI-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.64
Rot. Bonds3

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

3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole (PubChem CID 115395609) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
PubChem CID115395609
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCc1cc(-c2nncn2CC(C)C)n(C)n1
InChIInChI=1S/C11H17N5/c1-8(2)6-16-7-12-13-11(16)10-5-9(3)14-15(10)4/h5,7-8H,6H2,1-4H3
InChIKeyRHTUCWNFERQLNI-UHFFFAOYSA-N
XLogP1.64
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107976153
3,6-dimethyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridazine
CID 104673238
4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301392
3-(4-bromophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395668
3-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395624
4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 115395669
3-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 22938731
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107967389
3-(4-chloro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113397407
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole (CID 115395609) is 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole is Cc1cc(-c2nncn2CC(C)C)n(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is RHTUCWNFERQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(2)6-16-7-12-13-11(16)10-5-9(3)14-15(10)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole?
3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 219.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 115395609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).