(3S)-3-amino-1-(triazol-1-yl)butan-2-ol

C6H12N4O — CID 118525660

IUPAC(3S)-3-amino-1-(triazol-1-yl)butan-2-ol
SMILESC[C@H](N)C(O)Cn1ccnn1
InChIInChI=1S/C6H12N4O/c1-5(7)6(11)4-10-3-2-8-9-10/h2-3,5-6,11H,4,7H2,1H3/t5-,6?/m0/s1
InChIKeyYSYVZXCXOYOWRZ-ZBHICJROSA-N
MW156.19 g/mol
LogP-1.01
Rot. Bonds3

About (3S)-3-amino-1-(triazol-1-yl)butan-2-ol

(3S)-3-amino-1-(triazol-1-yl)butan-2-ol (PubChem CID 118525660) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (3S)-3-amino-1-(triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-1-(triazol-1-yl)butan-2-ol
PubChem CID118525660
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(3S)-3-amino-1-(triazol-1-yl)butan-2-ol
SMILESC[C@H](N)C(O)Cn1ccnn1
InChIInChI=1S/C6H12N4O/c1-5(7)6(11)4-10-3-2-8-9-10/h2-3,5-6,11H,4,7H2,1H3/t5-,6?/m0/s1
InChIKeyYSYVZXCXOYOWRZ-ZBHICJROSA-N
XLogP-1.01
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-amino-1-(triazol-1-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(triazol-1-yl)butan-2-ol?
The IUPAC name of (3S)-3-amino-1-(triazol-1-yl)butan-2-ol (CID 118525660) is (3S)-3-amino-1-(triazol-1-yl)butan-2-ol.
What is the SMILES notation for (3S)-3-amino-1-(triazol-1-yl)butan-2-ol?
The canonical SMILES for (3S)-3-amino-1-(triazol-1-yl)butan-2-ol is C[C@H](N)C(O)Cn1ccnn1.
What is the InChIKey of (3S)-3-amino-1-(triazol-1-yl)butan-2-ol?
The InChIKey is YSYVZXCXOYOWRZ-ZBHICJROSA-N. The full InChI is InChI=1S/C6H12N4O/c1-5(7)6(11)4-10-3-2-8-9-10/h2-3,5-6,11H,4,7H2,1H3/t5-,6?/m0/s1.
What are the key properties of (3S)-3-amino-1-(triazol-1-yl)butan-2-ol?
(3S)-3-amino-1-(triazol-1-yl)butan-2-ol has a molecular weight of 156.19 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(triazol-1-yl)butan-2-ol is sourced from PubChem (CID 118525660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).