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

C10H13N5 — CID 123615034

IUPAC3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole
SMILESC=c1c(-c2nnc(C)n2C)nn(C)c1=C
InChIInChI=1S/C10H13N5/c1-6-7(2)15(5)13-9(6)10-12-11-8(3)14(10)4/h1-2H2,3-5H3
InChIKeyAIDRWTWSOIMAMQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP-0.66
Rot. Bonds1

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

3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole (PubChem CID 123615034) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole
PubChem CID123615034
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole
SMILESC=c1c(-c2nnc(C)n2C)nn(C)c1=C
InChIInChI=1S/C10H13N5/c1-6-7(2)15(5)13-9(6)10-12-11-8(3)14(10)4/h1-2H2,3-5H3
InChIKeyAIDRWTWSOIMAMQ-UHFFFAOYSA-N
XLogP-0.66
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine;ethane
CID 142265862
(1E)-1-(2,6-dimethylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)-N,N-dimethylmethanamine
CID 148304011
(2E)-2-[(Z)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)pent-2-enylidene]-6-ethyl-3-methylidenepyridine
CID 142265863

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole?
The IUPAC name of 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole (CID 123615034) is 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole is C=c1c(-c2nnc(C)n2C)nn(C)c1=C.
What is the InChIKey of 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole?
The InChIKey is AIDRWTWSOIMAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6-7(2)15(5)13-9(6)10-12-11-8(3)14(10)4/h1-2H2,3-5H3.
What are the key properties of 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole?
3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole has a molecular weight of 203.25 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(1-methyl-4,5-dimethylidenepyrazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 123615034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).