1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole

C9H13N5 — CID 166318386

IUPAC1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole
SMILESCc1cnn(Cc2nc(C)n(C)n2)c1
InChIInChI=1S/C9H13N5/c1-7-4-10-14(5-7)6-9-11-8(2)13(3)12-9/h4-5H,6H2,1-3H3
InChIKeyYTPQGDAOVUUVCL-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.68
Rot. Bonds2

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

1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole (PubChem CID 166318386) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole
PubChem CID166318386
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole
SMILESCc1cnn(Cc2nc(C)n(C)n2)c1
InChIInChI=1S/C9H13N5/c1-7-4-10-14(5-7)6-9-11-8(2)13(3)12-9/h4-5H,6H2,1-3H3
InChIKeyYTPQGDAOVUUVCL-UHFFFAOYSA-N
XLogP0.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 71931260
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220955
5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 71996931
3-(methoxymethyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 154738153
11,12-dimethyl-4-[(4-methylpyrazol-1-yl)methyl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19583746
4-[(4-methylpyrazol-1-yl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 135568206
(4-methylpyrazol-1-yl)methanol
CID 7172181
1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid
CID 116630240
1,4-dimethylpyrazole
CID 167636457
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
1-(4-bromobutyl)-4-methylpyrazole
CID 60871748

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole?
The IUPAC name of 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole (CID 166318386) is 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole is Cc1cnn(Cc2nc(C)n(C)n2)c1.
What is the InChIKey of 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole?
The InChIKey is YTPQGDAOVUUVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7-4-10-14(5-7)6-9-11-8(2)13(3)12-9/h4-5H,6H2,1-3H3.
What are the key properties of 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole?
1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole has a molecular weight of 191.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 166318386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).