3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride

C5H10ClN5O — CID 52997058

IUPAC3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1nc(N)n[nH]1.Cl
InChIInChI=1S/C5H9N5O.ClH/c1-10(2)4(11)3-7-5(6)9-8-3;/h1-2H3,(H3,6,7,8,9);1H
InChIKeyPQLDZHPFYKIKFZ-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.49
Rot. Bonds1

About 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride

3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride (PubChem CID 52997058) has the molecular formula C5H10ClN5O and a molecular weight of 191.62 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride
PubChem CID52997058
Molecular FormulaC5H10ClN5O
Molecular Weight191.62 g/mol
Exact Mass191.06
IUPAC Name3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1nc(N)n[nH]1.Cl
InChIInChI=1S/C5H9N5O.ClH/c1-10(2)4(11)3-7-5(6)9-8-3;/h1-2H3,(H3,6,7,8,9);1H
InChIKeyPQLDZHPFYKIKFZ-UHFFFAOYSA-N
XLogP-0.49
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride (CID 52997058) is 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride is CN(C)C(=O)c1nc(N)n[nH]1.Cl.
What is the InChIKey of 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
The InChIKey is PQLDZHPFYKIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O.ClH/c1-10(2)4(11)3-7-5(6)9-8-3;/h1-2H3,(H3,6,7,8,9);1H.
What are the key properties of 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride?
3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 52997058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).