1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol

C16H24N4O — CID 111334174

IUPAC1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nnc(-c2ccccc2)n1C)CC(C)(C)O
InChIInChI=1S/C16H24N4O/c1-5-20(12-16(2,3)21)11-14-17-18-15(19(14)4)13-9-7-6-8-10-13/h6-10,21H,5,11-12H2,1-4H3
InChIKeyAQQVJLRQTBTGBP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.07
Rot. Bonds6

About 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol (PubChem CID 111334174) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol
PubChem CID111334174
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nnc(-c2ccccc2)n1C)CC(C)(C)O
InChIInChI=1S/C16H24N4O/c1-5-20(12-16(2,3)21)11-14-17-18-15(19(14)4)13-9-7-6-8-10-13/h6-10,21H,5,11-12H2,1-4H3
InChIKeyAQQVJLRQTBTGBP-UHFFFAOYSA-N
XLogP2.07
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol (CID 111334174) is 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol is CCN(Cc1nnc(-c2ccccc2)n1C)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol?
The InChIKey is AQQVJLRQTBTGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-20(12-16(2,3)21)11-14-17-18-15(19(14)4)13-9-7-6-8-10-13/h6-10,21H,5,11-12H2,1-4H3.
What are the key properties of 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 111334174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).