4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole

C12H15N7 — CID 95208171

IUPAC4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole
SMILESCc1cc(-n2cnnc2[C@H](C)n2cccn2)n(C)n1
InChIInChI=1S/C12H15N7/c1-9-7-11(17(3)16-9)18-8-13-15-12(18)10(2)19-6-4-5-14-19/h4-8,10H,1-3H3/t10-/m0/s1
InChIKeyHXDIKSVMDDCPGS-JTQLQIEISA-N
MW257.30 g/mol
LogP1.12
Rot. Bonds3

About 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole

4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole (PubChem CID 95208171) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole
PubChem CID95208171
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole
SMILESCc1cc(-n2cnnc2[C@H](C)n2cccn2)n(C)n1
InChIInChI=1S/C12H15N7/c1-9-7-11(17(3)16-9)18-8-13-15-12(18)10(2)19-6-4-5-14-19/h4-8,10H,1-3H3/t10-/m0/s1
InChIKeyHXDIKSVMDDCPGS-JTQLQIEISA-N
XLogP1.12
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-Dimethyl-2-(1-methylimidazol-2-yl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
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N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
CID 45190722
n-(2-(1h-Pyrazol-1-yl)ethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
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N,N,6-trimethyl-2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidin-4-amine
CID 53613729
5-methyl-N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914140
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 71928254
Dimethyl[(2-{1-[(1-propylpyrazol-4-YL)methyl]pyrrolidin-2-YL}pyrimidin-4-YL)methyl]amine
CID 110117217
7-Imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35417569
1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1H-pyrazol-1-yl)pyrimidine
CID 1376774
1-[(1-allyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72900960

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole (CID 95208171) is 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole is Cc1cc(-n2cnnc2[C@H](C)n2cccn2)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole?
The InChIKey is HXDIKSVMDDCPGS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N7/c1-9-7-11(17(3)16-9)18-8-13-15-12(18)10(2)19-6-4-5-14-19/h4-8,10H,1-3H3/t10-/m0/s1.
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole?
4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole has a molecular weight of 257.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-pyrazol-1-ylethyl]-1,2,4-triazole is sourced from PubChem (CID 95208171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).