1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol

C12H24N4O — CID 107151899

IUPAC1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCCn1ncnc1CNCC(O)CC(C)(C)C
InChIInChI=1S/C12H24N4O/c1-5-16-11(14-9-15-16)8-13-7-10(17)6-12(2,3)4/h9-10,13,17H,5-8H2,1-4H3
InChIKeyAKATVCDLFJDWQM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds6

About 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol

1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 107151899) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID107151899
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCCn1ncnc1CNCC(O)CC(C)(C)C
InChIInChI=1S/C12H24N4O/c1-5-16-11(14-9-15-16)8-13-7-10(17)6-12(2,3)4/h9-10,13,17H,5-8H2,1-4H3
InChIKeyAKATVCDLFJDWQM-UHFFFAOYSA-N
XLogP1.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 114941761
1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol
CID 106147440
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467
N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 82930776
3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83120785
1-[(3,5-dibromo-2-pyridinyl)methylamino]-4,4-dimethylpentan-2-ol
CID 104573831
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
CID 79101247
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol (CID 107151899) is 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol is CCn1ncnc1CNCC(O)CC(C)(C)C.
What is the InChIKey of 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is AKATVCDLFJDWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-16-11(14-9-15-16)8-13-7-10(17)6-12(2,3)4/h9-10,13,17H,5-8H2,1-4H3.
What are the key properties of 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol?
1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).