5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole

C38H66N14O — CID 167711382

IUPAC5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ncn[nH]1.CC(C)c1nncn1C.Cc1[nH]cnc1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C
InChIInChI=1S/2C7H12N2.C7H11NO.2C6H11N3.C5H9N3/c1-5(2)7-6(3)8-4-9-7;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)6-8-7-4-9(6)3;1-5(2)9-6(3)4-7-8-9;1-4(2)5-6-3-7-8-5/h2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyZWTSPGNLASPRNG-UHFFFAOYSA-N
MW735.04 g/mol
LogP8.82
Rot. Bonds6

About 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole

5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 167711382) has the molecular formula C38H66N14O and a molecular weight of 735.04 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID167711382
Molecular FormulaC38H66N14O
Molecular Weight735.04 g/mol
Exact Mass734.55
IUPAC Name5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ncn[nH]1.CC(C)c1nncn1C.Cc1[nH]cnc1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C
InChIInChI=1S/2C7H12N2.C7H11NO.2C6H11N3.C5H9N3/c1-5(2)7-6(3)8-4-9-7;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)6-8-7-4-9(6)3;1-5(2)9-6(3)4-7-8-9;1-4(2)5-6-3-7-8-5/h2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyZWTSPGNLASPRNG-UHFFFAOYSA-N
XLogP8.82
TPSA186.38 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500735.04
LogP ≤ 58.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole (CID 167711382) is 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ncn[nH]1.CC(C)c1nncn1C.Cc1[nH]cnc1C(C)C.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is ZWTSPGNLASPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2.C7H11NO.2C6H11N3.C5H9N3/c1-5(2)7-6(3)8-4-9-7;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)6-8-7-4-9(6)3;1-5(2)9-6(3)4-7-8-9;1-4(2)5-6-3-7-8-5/h2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;3-4H,1-2H3,(H,6,7,8).
What are the key properties of 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole?
5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 735.04 g/mol, XLogP of 8.82, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 167711382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).