5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole

C14H23N5 — CID 138383814

IUPAC5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole
SMILESCC(C)Cc1nc(C(C)(C)C)n(-c2ccnn2C)n1
InChIInChI=1S/C14H23N5/c1-10(2)9-11-16-13(14(3,4)5)19(17-11)12-7-8-15-18(12)6/h7-8,10H,9H2,1-6H3
InChIKeyYWEWSPNVMKYSGR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds3

About 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole

5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole (PubChem CID 138383814) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole
PubChem CID138383814
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole
SMILESCC(C)Cc1nc(C(C)(C)C)n(-c2ccnn2C)n1
InChIInChI=1S/C14H23N5/c1-10(2)9-11-16-13(14(3,4)5)19(17-11)12-7-8-15-18(12)6/h7-8,10H,9H2,1-6H3
InChIKeyYWEWSPNVMKYSGR-UHFFFAOYSA-N
XLogP2.50
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrazol-3-yl)-3-pentyl-5-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 138377854
5-tert-butyl-1-methyl-3-(2-methylpropyl)pyrazole
CID 167374623
4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 62722337
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 156585119
ethane;2-(2-methylpropyl)pyrimidine
CID 169144494
2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine
CID 177019112
3-(2,2-dimethylpropyl)-1-methyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazole
CID 59744012
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50968304
[3-(2-methylpropyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69384200
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole
CID 95122009
2-bromo-6-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]aniline
CID 63113377

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole?
The IUPAC name of 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole (CID 138383814) is 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole is CC(C)Cc1nc(C(C)(C)C)n(-c2ccnn2C)n1.
What is the InChIKey of 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole?
The InChIKey is YWEWSPNVMKYSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10(2)9-11-16-13(14(3,4)5)19(17-11)12-7-8-15-18(12)6/h7-8,10H,9H2,1-6H3.
What are the key properties of 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole?
5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole has a molecular weight of 261.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 138383814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).