3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole

C7H8ClN5 — CID 63384961

IUPAC3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCc1nnc(Cl)n1-c1cnn(C)c1
InChIInChI=1S/C7H8ClN5/c1-5-10-11-7(8)13(5)6-3-9-12(2)4-6/h3-4H,1-2H3
InChIKeyXGJLZKPWRVVPLS-UHFFFAOYSA-N
MW197.63 g/mol
LogP0.96
Rot. Bonds1

About 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole

3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole (PubChem CID 63384961) has the molecular formula C7H8ClN5 and a molecular weight of 197.63 g/mol. Its IUPAC name is 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
PubChem CID63384961
Molecular FormulaC7H8ClN5
Molecular Weight197.63 g/mol
Exact Mass197.05
IUPAC Name3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCc1nnc(Cl)n1-c1cnn(C)c1
InChIInChI=1S/C7H8ClN5/c1-5-10-11-7(8)13(5)6-3-9-12(2)4-6/h3-4H,1-2H3
InChIKeyXGJLZKPWRVVPLS-UHFFFAOYSA-N
XLogP0.96
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
3-chloro-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole
CID 63385056
1-((5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)methyl)-1H-pyrazol-4-amine
CID 81057148
N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 74243593
3-[(4-Chloropyrazol-1-yl)methyl]-4,5-dimethyl-1,2,4-triazole
CID 75494193
N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-3-(1H-pyrazol-1-yl)propan-1-amine
CID 77080424
N-[(1-tert-butyltetrazol-5-yl)methyl]-N-ethyl-1-methylpyrazol-4-amine
CID 125422138
1-(Difluoromethyl)-2-[(4-methylpyrazol-1-yl)methyl]imidazole
CID 132286804
N,1-dimethyl-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrazol-4-amine
CID 132361520
1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine
CID 169172677
1-[(1S)-3,3-difluoro-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propyl]-3-fluoropyrazol-4-amine
CID 170239400
4-Imidazol-1-yl-1-(trifluoromethyl)pyrazole
CID 175919908

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole (CID 63384961) is 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole is Cc1nnc(Cl)n1-c1cnn(C)c1.
What is the InChIKey of 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The InChIKey is XGJLZKPWRVVPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5/c1-5-10-11-7(8)13(5)6-3-9-12(2)4-6/h3-4H,1-2H3.
What are the key properties of 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole?
3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole has a molecular weight of 197.63 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 63384961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).