5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride

C5H10ClN5O — CID 22716029

IUPAC5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(N)=O)nc1CN
InChIInChI=1S/C5H9N5O.ClH/c1-10-3(2-6)8-5(9-10)4(7)11;/h2,6H2,1H3,(H2,7,11);1H
InChIKeyYOWLEPISQYWNAE-UHFFFAOYSA-N
MW191.62 g/mol
LogP-1.21
Rot. Bonds2

About 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride

5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride (PubChem CID 22716029) has the molecular formula C5H10ClN5O and a molecular weight of 191.62 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
PubChem CID22716029
Molecular FormulaC5H10ClN5O
Molecular Weight191.62 g/mol
Exact Mass191.06
IUPAC Name5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(N)=O)nc1CN
InChIInChI=1S/C5H9N5O.ClH/c1-10-3(2-6)8-5(9-10)4(7)11;/h2,6H2,1H3,(H2,7,11);1H
InChIKeyYOWLEPISQYWNAE-UHFFFAOYSA-N
XLogP-1.21
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride (CID 22716029) is 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride is Cl.Cn1nc(C(N)=O)nc1CN.
What is the InChIKey of 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The InChIKey is YOWLEPISQYWNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O.ClH/c1-10-3(2-6)8-5(9-10)4(7)11;/h2,6H2,1H3,(H2,7,11);1H.
What are the key properties of 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride?
5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 22716029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).