[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride

C4H9ClN4O — CID 126817079

IUPAC[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride
SMILESCl.NCc1n[nH]c(CO)n1
InChIInChI=1S/C4H8N4O.ClH/c5-1-3-6-4(2-9)8-7-3;/h9H,1-2,5H2,(H,6,7,8);1H
InChIKeyWDPKSJOWMHXLIE-UHFFFAOYSA-N
MW164.60 g/mol
LogP-0.82
Rot. Bonds2

About [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride

[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride (PubChem CID 126817079) has the molecular formula C4H9ClN4O and a molecular weight of 164.60 g/mol. Its IUPAC name is [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride
PubChem CID126817079
Molecular FormulaC4H9ClN4O
Molecular Weight164.60 g/mol
Exact Mass164.05
IUPAC Name[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride
SMILESCl.NCc1n[nH]c(CO)n1
InChIInChI=1S/C4H8N4O.ClH/c5-1-3-6-4(2-9)8-7-3;/h9H,1-2,5H2,(H,6,7,8);1H
InChIKeyWDPKSJOWMHXLIE-UHFFFAOYSA-N
XLogP-0.82
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.60
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride?
The IUPAC name of [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride (CID 126817079) is [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride is Cl.NCc1n[nH]c(CO)n1.
What is the InChIKey of [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride?
The InChIKey is WDPKSJOWMHXLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O.ClH/c5-1-3-6-4(2-9)8-7-3;/h9H,1-2,5H2,(H,6,7,8);1H.
What are the key properties of [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride?
[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride has a molecular weight of 164.60 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-1H-1,2,4-triazol-5-yl]methanol;hydrochloride is sourced from PubChem (CID 126817079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).