1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one

C11H17N3O2 — CID 103455915

IUPAC1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
SMILESCCCn1ncnc1CC(=O)C(O)C1CC1
InChIInChI=1S/C11H17N3O2/c1-2-5-14-10(12-7-13-14)6-9(15)11(16)8-3-4-8/h7-8,11,16H,2-6H2,1H3
InChIKeyCYYZAMGKYFUAHQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.57
Rot. Bonds6

About 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one

1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one (PubChem CID 103455915) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
PubChem CID103455915
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
SMILESCCCn1ncnc1CC(=O)C(O)C1CC1
InChIInChI=1S/C11H17N3O2/c1-2-5-14-10(12-7-13-14)6-9(15)11(16)8-3-4-8/h7-8,11,16H,2-6H2,1H3
InChIKeyCYYZAMGKYFUAHQ-UHFFFAOYSA-N
XLogP0.57
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116558471
ethyl 4-oxo-5-(2-propyl-1,2,4-triazol-3-yl)pentanoate
CID 112744630
1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587159
3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)but-3-en-2-one
CID 103446445
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684013
1-(3-ethyl-1,4-dithian-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 113299349
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467
1-(2-propyl-1,2,4-triazol-3-yl)heptan-2-one
CID 115779985
(E)-1-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103453420
1-cyclopropyl-N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 116653149
(E)-1-(2-propyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103454304

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one?
The IUPAC name of 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one (CID 103455915) is 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one is CCCn1ncnc1CC(=O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one?
The InChIKey is CYYZAMGKYFUAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-5-14-10(12-7-13-14)6-9(15)11(16)8-3-4-8/h7-8,11,16H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one?
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one is sourced from PubChem (CID 103455915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).