1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane

C9H18N4O — CID 156722464

IUPAC1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane
SMILESCC.CC(O)c1nc(N)nn1C1CC1
InChIInChI=1S/C7H12N4O.C2H6/c1-4(12)6-9-7(8)10-11(6)5-2-3-5;1-2/h4-5,12H,2-3H2,1H3,(H2,8,10);1-2H3
InChIKeyQKBHXLMTYCHHMR-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.27
Rot. Bonds2

About 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane

1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane (PubChem CID 156722464) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane.

Molecular Properties

Compound Name1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane
PubChem CID156722464
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane
SMILESCC.CC(O)c1nc(N)nn1C1CC1
InChIInChI=1S/C7H12N4O.C2H6/c1-4(12)6-9-7(8)10-11(6)5-2-3-5;1-2/h4-5,12H,2-3H2,1H3,(H2,8,10);1-2H3
InChIKeyQKBHXLMTYCHHMR-UHFFFAOYSA-N
XLogP1.27
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane with MolForge

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Related Compounds

4-Dimethyl-2-(1h-1,2,4 triazol-1-yl) pentan-3-ol
CID 61773095
2-{[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]amino}propan-1-ol
CID 50958564
[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 58204408
1-(2-Propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 58337035
(5-Methyl-1-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 68355365
2-(3-Amino-5-methyl-1,2,4-triazol-1-yl)ethanol
CID 79521269
(5-Tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol
CID 115396350
[5-(1-Iminopropan-2-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 123191696
2-(3-Azido-5-ethyl-1,2,4-triazol-1-yl)ethanol
CID 137465706
1-(5-Methyl-3-propan-2-yl-1,2,4-triazol-1-yl)propan-2-ol
CID 139365987
1-[3,5-Di(propan-2-yl)-1,2,4-triazol-1-yl]propan-2-ol
CID 155792128
(5-Tert-butyl-2-ethyl-1,2,4-triazol-3-yl)methanol
CID 156271482

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane?
The IUPAC name of 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane (CID 156722464) is 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane.
What is the SMILES notation for 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane?
The canonical SMILES for 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane is CC.CC(O)c1nc(N)nn1C1CC1.
What is the InChIKey of 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane?
The InChIKey is QKBHXLMTYCHHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.C2H6/c1-4(12)6-9-7(8)10-11(6)5-2-3-5;1-2/h4-5,12H,2-3H2,1H3,(H2,8,10);1-2H3.
What are the key properties of 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane?
1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane has a molecular weight of 198.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-cyclopropyl-1,2,4-triazol-3-yl)ethanol;ethane is sourced from PubChem (CID 156722464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).