(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol

C9H18N4O — CID 114986524

IUPAC(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cnnn1C
InChIInChI=1S/C9H18N4O/c1-7(2)9(6-14)10-4-8-5-11-12-13(8)3/h5,7,9-10,14H,4,6H2,1-3H3/t9-/m1/s1
InChIKeyMNXIGWUBUUSYRL-SECBINFHSA-N
MW198.27 g/mol
LogP-0.08
Rot. Bonds5

About (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol

(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol (PubChem CID 114986524) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol
PubChem CID114986524
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cnnn1C
InChIInChI=1S/C9H18N4O/c1-7(2)9(6-14)10-4-8-5-11-12-13(8)3/h5,7,9-10,14H,4,6H2,1-3H3/t9-/m1/s1
InChIKeyMNXIGWUBUUSYRL-SECBINFHSA-N
XLogP-0.08
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
CID 113257729
N-methyl-2-[(3-methyltriazol-4-yl)methylamino]propanamide
CID 115682453
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
N-ethyl-4-methyl-1-(3-methyltriazol-4-yl)pentan-3-amine
CID 114690406
(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 104865416
1-ethylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]propan-2-amine
CID 115682796
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
(3-methyltriazol-4-yl)methanol
CID 12654348
(2S)-3-methyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 79249305
(2S)-3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249141
3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249791
N-[(3-methyltriazol-4-yl)methyl]-2-sulfanylpropanamide
CID 130820309

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol (CID 114986524) is (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol is CC(C)[C@@H](CO)NCc1cnnn1C.
What is the InChIKey of (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol?
The InChIKey is MNXIGWUBUUSYRL-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7(2)9(6-14)10-4-8-5-11-12-13(8)3/h5,7,9-10,14H,4,6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol?
(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol has a molecular weight of 198.27 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 114986524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).