[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride

C5H11ClN4O — CID 86262352

IUPAC[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
SMILESCl.NCCn1cc(CO)nn1
InChIInChI=1S/C5H10N4O.ClH/c6-1-2-9-3-5(4-10)7-8-9;/h3,10H,1-2,4,6H2;1H
InChIKeyNHLMWXJHPCULDV-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.85
Rot. Bonds3

About [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride

[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride (PubChem CID 86262352) has the molecular formula C5H11ClN4O and a molecular weight of 178.62 g/mol. Its IUPAC name is [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
PubChem CID86262352
Molecular FormulaC5H11ClN4O
Molecular Weight178.62 g/mol
Exact Mass178.06
IUPAC Name[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
SMILESCl.NCCn1cc(CO)nn1
InChIInChI=1S/C5H10N4O.ClH/c6-1-2-9-3-5(4-10)7-8-9;/h3,10H,1-2,4,6H2;1H
InChIKeyNHLMWXJHPCULDV-UHFFFAOYSA-N
XLogP-0.85
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 ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
(1-prop-2-enyltriazol-4-yl)methanol
CID 82204783
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
[1-(3-phenylpropyl)triazol-4-yl]methanol
CID 62401838
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
2-[4-[[[3,5-bis[[[1-(2-aminoethyl)triazol-4-yl]methylamino]methyl]-2,4,6-trimethylphenyl]methylamino]methyl]triazol-1-yl]ethanamine
CID 101168096
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[1-(3-aminopropyl)triazol-4-yl]acetic acid
CID 107461829

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride?
The IUPAC name of [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride (CID 86262352) is [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride.
What is the SMILES notation for [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride?
The canonical SMILES for [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride is Cl.NCCn1cc(CO)nn1.
What is the InChIKey of [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride?
The InChIKey is NHLMWXJHPCULDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.ClH/c6-1-2-9-3-5(4-10)7-8-9;/h3,10H,1-2,4,6H2;1H.
What are the key properties of [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride?
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride is sourced from PubChem (CID 86262352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).