1,3,5-triazine-2-carboxamide;hydrochloride

C4H5ClN4O — CID 174617554

IUPAC1,3,5-triazine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ncncn1
InChIInChI=1S/C4H4N4O.ClH/c5-3(9)4-7-1-6-2-8-4;/h1-2H,(H2,5,9);1H
InChIKeyCMCXXMXFDQIJQZ-UHFFFAOYSA-N
MW160.56 g/mol
LogP-0.61
Rot. Bonds1

About 1,3,5-triazine-2-carboxamide;hydrochloride

1,3,5-triazine-2-carboxamide;hydrochloride (PubChem CID 174617554) has the molecular formula C4H5ClN4O and a molecular weight of 160.56 g/mol. Its IUPAC name is 1,3,5-triazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,3,5-triazine-2-carboxamide;hydrochloride
PubChem CID174617554
Molecular FormulaC4H5ClN4O
Molecular Weight160.56 g/mol
Exact Mass160.02
IUPAC Name1,3,5-triazine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ncncn1
InChIInChI=1S/C4H4N4O.ClH/c5-3(9)4-7-1-6-2-8-4;/h1-2H,(H2,5,9);1H
InChIKeyCMCXXMXFDQIJQZ-UHFFFAOYSA-N
XLogP-0.61
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Bis(dimethylamino)-1,3,5-triazine-2-carboxamide
CID 910049
2-Carbamoyl-sym-triazine
CID 54264822
1,3,5-Triazine-2-carbohydrazide
CID 21537408
4-Ethoxy-1,3,5-triazine-2-carboxamide
CID 54244492
N-methylsulfanyl-1,3,5-triazine-2-carboxamide
CID 54480967
N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide
CID 57221905
4,6-Diamino-1,3,5-triazine-2-carboxamide
CID 67444326
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
N-carbamoyl-1,3,5-triazine-2-carboxamide
CID 68122432
4-(Dimethylamino)-1,3,5-triazine-2-carboxamide
CID 68499221
4-Methyl-1,3,5-triazine-2-carboxamide
CID 89902814
1,3,5-Triazine-2-carbonyl azide
CID 90757346

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2-carboxamide;hydrochloride?
The IUPAC name of 1,3,5-triazine-2-carboxamide;hydrochloride (CID 174617554) is 1,3,5-triazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1,3,5-triazine-2-carboxamide;hydrochloride?
The canonical SMILES for 1,3,5-triazine-2-carboxamide;hydrochloride is Cl.NC(=O)c1ncncn1.
What is the InChIKey of 1,3,5-triazine-2-carboxamide;hydrochloride?
The InChIKey is CMCXXMXFDQIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O.ClH/c5-3(9)4-7-1-6-2-8-4;/h1-2H,(H2,5,9);1H.
What are the key properties of 1,3,5-triazine-2-carboxamide;hydrochloride?
1,3,5-triazine-2-carboxamide;hydrochloride has a molecular weight of 160.56 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 174617554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).