1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride

C5H11ClN4O — CID 142774903

IUPAC1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride
SMILESCl.NCC(O)Cn1ccnn1
InChIInChI=1S/C5H10N4O.ClH/c6-3-5(10)4-9-2-1-7-8-9;/h1-2,5,10H,3-4,6H2;1H
InChIKeyLDIQQSDDQFZTSV-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.98
Rot. Bonds3

About 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride

1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride (PubChem CID 142774903) has the molecular formula C5H11ClN4O and a molecular weight of 178.62 g/mol. Its IUPAC name is 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride
PubChem CID142774903
Molecular FormulaC5H11ClN4O
Molecular Weight178.62 g/mol
Exact Mass178.06
IUPAC Name1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride
SMILESCl.NCC(O)Cn1ccnn1
InChIInChI=1S/C5H10N4O.ClH/c6-3-5(10)4-9-2-1-7-8-9;/h1-2,5,10H,3-4,6H2;1H
InChIKeyLDIQQSDDQFZTSV-UHFFFAOYSA-N
XLogP-0.98
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

rac-(3R,4R)-4-(1H-1,2,3-triazol-1-yl)pyrrolidin-3-ol
CID 67820055
2-[(1H-1,2,3-triazol-1-yl)methyl]morpholine dihydrochloride
CID 126817029
1,3-Bis-1,2,3-triazol-1-yl-propan-2-ol
CID 142630922
1,1,1-Trifluoro-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
CID 104444645
1,1,1-Trifluoro-3-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 104445018
1-fluoro-3-(1H-1,2,3-triazol-1-yl)propan-2-ol
CID 165600796
2-[(1H-1,2,3-Triazol-1-yl)methyl]morpholine
CID 18329925
1-amino-3-(1H-1,2,3-triazol-1-yl)propan-2-ol
CID 18765667
1-Chloro-3(1,2,3)triazol-1-ylpropan-2-ol
CID 18765681
4-(1H-1,2,3-Triazol-1-yl)pyrrolidin-3-ol hydrochloride
CID 19006006
4-(1H-1,2,3-triazol-1-yl)pyrrolidin-3-ol
CID 19006007
1-Amino-1-ethylsulfanyl-3-(triazol-1-yl)propan-2-ol
CID 20063700

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride (CID 142774903) is 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride is Cl.NCC(O)Cn1ccnn1.
What is the InChIKey of 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride?
The InChIKey is LDIQQSDDQFZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.ClH/c6-3-5(10)4-9-2-1-7-8-9;/h1-2,5,10H,3-4,6H2;1H.
What are the key properties of 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride?
1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(triazol-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 142774903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).