[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol

C9H18N4O — CID 99737543

IUPAC[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol
SMILESCC[C@H](C)[C@@H](N)Cn1cc(CO)nn1
InChIInChI=1S/C9H18N4O/c1-3-7(2)9(10)5-13-4-8(6-14)11-12-13/h4,7,9,14H,3,5-6,10H2,1-2H3/t7-,9-/m0/s1
InChIKeyRVJDLZQSGTWMLW-CBAPKCEASA-N
MW198.27 g/mol
LogP0.14
Rot. Bonds5

About [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol

[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol (PubChem CID 99737543) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol
PubChem CID99737543
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol
SMILESCC[C@H](C)[C@@H](N)Cn1cc(CO)nn1
InChIInChI=1S/C9H18N4O/c1-3-7(2)9(10)5-13-4-8(6-14)11-12-13/h4,7,9,14H,3,5-6,10H2,1-2H3/t7-,9-/m0/s1
InChIKeyRVJDLZQSGTWMLW-CBAPKCEASA-N
XLogP0.14
TPSA76.96 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 ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2R)-2-amino-2-phenylethyl]triazol-4-yl]methanol
CID 129494944
[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol
CID 129494851
2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
CID 82929775
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 122241163
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
(2R)-1-[4-(hydroxymethyl)triazol-1-yl]-3-[(E)-prop-1-enoxy]propan-2-ol
CID 122418092
1-[4-(hydroxymethyl)triazol-1-yl]-2,3-dimethylbutan-2-ol
CID 114496914
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
[1-(4-methylundecyl)triazol-4-yl]methanol
CID 174977767
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 55067182
1-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114420023

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol (CID 99737543) is [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol is CC[C@H](C)[C@@H](N)Cn1cc(CO)nn1.
What is the InChIKey of [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol?
The InChIKey is RVJDLZQSGTWMLW-CBAPKCEASA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-7(2)9(10)5-13-4-8(6-14)11-12-13/h4,7,9,14H,3,5-6,10H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol?
[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol has a molecular weight of 198.27 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol is sourced from PubChem (CID 99737543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).