1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol

C17H24N4O — CID 119052544

IUPAC1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)CNC(Cn1cncn1)C1CC1
InChIInChI=1S/C17H24N4O/c22-16(9-6-14-4-2-1-3-5-14)10-19-17(15-7-8-15)11-21-13-18-12-20-21/h1-5,12-13,15-17,19,22H,6-11H2
InChIKeyXFJUTRVDLNCEFZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.64
Rot. Bonds9

About 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol

1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol (PubChem CID 119052544) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol
PubChem CID119052544
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)CNC(Cn1cncn1)C1CC1
InChIInChI=1S/C17H24N4O/c22-16(9-6-14-4-2-1-3-5-14)10-19-17(15-7-8-15)11-21-13-18-12-20-21/h1-5,12-13,15-17,19,22H,6-11H2
InChIKeyXFJUTRVDLNCEFZ-UHFFFAOYSA-N
XLogP1.64
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
2-phenyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]ethanesulfonamide
CID 95617417
(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95342886
N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64917969
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
CID 159072005
2-methyl-1-[2-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 46957978
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(1-cyclobutyl-3-phenylpropyl)hydrazine
CID 105205787
1-(5-cyclopropyltetrazol-2-yl)-4-phenylbutan-2-ol
CID 126814310
(3R)-N-(2-phenylethyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 92633456
(1-cyclohexyl-3-phenylpropyl)hydrazine
CID 105201730

Frequently Asked Questions

What is the IUPAC name of 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol?
The IUPAC name of 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol (CID 119052544) is 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol.
What is the SMILES notation for 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol?
The canonical SMILES for 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol is OC(CCc1ccccc1)CNC(Cn1cncn1)C1CC1.
What is the InChIKey of 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol?
The InChIKey is XFJUTRVDLNCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-16(9-6-14-4-2-1-3-5-14)10-19-17(15-7-8-15)11-21-13-18-12-20-21/h1-5,12-13,15-17,19,22H,6-11H2.
What are the key properties of 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol?
1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol has a molecular weight of 300.41 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]amino]-4-phenylbutan-2-ol is sourced from PubChem (CID 119052544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).