(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride

C5H11ClN4O — CID 118525716

IUPAC(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride
SMILESC[C@H](N)C(O)c1ncn[nH]1.Cl
InChIInChI=1S/C5H10N4O.ClH/c1-3(6)4(10)5-7-2-8-9-5;/h2-4,10H,6H2,1H3,(H,7,8,9);1H/t3-,4?;/m0./s1
InChIKeyJCICJEIILYGMHU-ZRCOPKFRSA-N
MW178.62 g/mol
LogP-0.39
Rot. Bonds2

About (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride

(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride (PubChem CID 118525716) has the molecular formula C5H11ClN4O and a molecular weight of 178.62 g/mol. Its IUPAC name is (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride
PubChem CID118525716
Molecular FormulaC5H11ClN4O
Molecular Weight178.62 g/mol
Exact Mass178.06
IUPAC Name(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride
SMILESC[C@H](N)C(O)c1ncn[nH]1.Cl
InChIInChI=1S/C5H10N4O.ClH/c1-3(6)4(10)5-7-2-8-9-5;/h2-4,10H,6H2,1H3,(H,7,8,9);1H/t3-,4?;/m0./s1
InChIKeyJCICJEIILYGMHU-ZRCOPKFRSA-N
XLogP-0.39
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4H-1,2,4-Triazol-3-yl)ethan-1-ol
CID 21187528
1-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 126801829
1-(4H-1,2,4-Triazol-3-yl)propan-1-ol hydrochloride
CID 137964058
O-[(1S)-1-(1H-1,2,4-triazol-3-yl)ethyl]hydroxylamine dihydrochloride
CID 146075476
O-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]hydroxylamine dihydrochloride
CID 155819732
(1R)-1-(1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 155822124
3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 67571305
3,3,3-trifluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 140635081
O-[(1S)-1-(4H-1,2,4-triazol-3-yl)ethyl]hydroxylamine
CID 146075477
2-fluoro-1-(1H-1,2,4-triazol-3-yl)ethan-1-ol
CID 165706096
1-(4H-1,2,4-triazol-3-yl)propan-1-ol
CID 19811983
1-(1H-1,2,4-triazol-3-yl)propan-2-ol
CID 23311302

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride (CID 118525716) is (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride is C[C@H](N)C(O)c1ncn[nH]1.Cl.
What is the InChIKey of (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride?
The InChIKey is JCICJEIILYGMHU-ZRCOPKFRSA-N. The full InChI is InChI=1S/C5H10N4O.ClH/c1-3(6)4(10)5-7-2-8-9-5;/h2-4,10H,6H2,1H3,(H,7,8,9);1H/t3-,4?;/m0./s1.
What are the key properties of (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride?
(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 118525716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).