(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol

C6H12N4O — CID 96735449

IUPAC(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
SMILESCn1cc([C@H](O)CCN)nn1
InChIInChI=1S/C6H12N4O/c1-10-4-5(8-9-10)6(11)2-3-7/h4,6,11H,2-3,7H2,1H3/t6-/m1/s1
InChIKeyWHEBJZVMNSJDJC-ZCFIWIBFSA-N
MW156.19 g/mol
LogP-0.80
Rot. Bonds3

About (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol

(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol (PubChem CID 96735449) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
PubChem CID96735449
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
SMILESCn1cc([C@H](O)CCN)nn1
InChIInChI=1S/C6H12N4O/c1-10-4-5(8-9-10)6(11)2-3-7/h4,6,11H,2-3,7H2,1H3/t6-/m1/s1
InChIKeyWHEBJZVMNSJDJC-ZCFIWIBFSA-N
XLogP-0.80
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 ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-3-(1-methyltriazol-4-yl)propanal
CID 130599232
2-azido-1-(1-methyltriazol-4-yl)ethanol
CID 165492311
2-methoxy-2-(1-methyltriazol-4-yl)ethanamine
CID 130599175
(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
CID 130602732
N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine
CID 130598801
2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602359
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
(3R)-3-amino-3-(1-methyltriazol-4-yl)propanamide
CID 130598575
2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
CID 112735961
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
CID 107052776
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
CID 148834099
2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602705

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol?
The IUPAC name of (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol (CID 96735449) is (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol is Cn1cc([C@H](O)CCN)nn1.
What is the InChIKey of (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol?
The InChIKey is WHEBJZVMNSJDJC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12N4O/c1-10-4-5(8-9-10)6(11)2-3-7/h4,6,11H,2-3,7H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol?
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol has a molecular weight of 156.19 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 96735449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).