2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol

C10H19N3O — CID 163231929

IUPAC2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCn1nc(C(C)C)nc1C(C)(C)O
InChIInChI=1S/C10H19N3O/c1-6-13-9(10(4,5)14)11-8(12-13)7(2)3/h7,14H,6H2,1-5H3
InChIKeyNQPVUMUTIKDZMS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol

2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 163231929) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID163231929
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESCCn1nc(C(C)C)nc1C(C)(C)O
InChIInChI=1S/C10H19N3O/c1-6-13-9(10(4,5)14)11-8(12-13)7(2)3/h7,14H,6H2,1-5H3
InChIKeyNQPVUMUTIKDZMS-UHFFFAOYSA-N
XLogP1.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 129190894
3-(3,5-Dimethyl-1,2,4-triazol-1-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 126782096
2-Methyl-1-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol
CID 18724116
[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 58204408
(1-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 58204412
3-(Methoxymethyl)-1,5-di(propan-2-yl)-1,2,4-triazole
CID 58204416
2-(2-Propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 58337074
2-(1-Propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 58973033
2-(5-Tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 59539687
5-(2-Ethoxypropan-2-yl)-1,3-dimethyl-1,2,4-triazole
CID 68091586
2-(5-Propan-2-yl-1,2,4-triazol-1-yl)ethanol
CID 68103678
2-(2-Methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 68295745

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (CID 163231929) is 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is CCn1nc(C(C)C)nc1C(C)(C)O.
What is the InChIKey of 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is NQPVUMUTIKDZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6-13-9(10(4,5)14)11-8(12-13)7(2)3/h7,14H,6H2,1-5H3.
What are the key properties of 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 163231929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).