4,6-diamino-1,3,5-triazine-2-carboxamide

C4H6N6O — CID 67444326

IUPAC4,6-diamino-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(N)nc(N)n1
InChIInChI=1S/C4H6N6O/c5-1(11)2-8-3(6)10-4(7)9-2/h(H2,5,11)(H4,6,7,8,9,10)
InChIKeyKKWGAKWZYTWKDZ-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.87
Rot. Bonds1

About 4,6-diamino-1,3,5-triazine-2-carboxamide

4,6-diamino-1,3,5-triazine-2-carboxamide (PubChem CID 67444326) has the molecular formula C4H6N6O and a molecular weight of 154.13 g/mol. Its IUPAC name is 4,6-diamino-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-diamino-1,3,5-triazine-2-carboxamide
PubChem CID67444326
Molecular FormulaC4H6N6O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name4,6-diamino-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(N)nc(N)n1
InChIInChI=1S/C4H6N6O/c5-1(11)2-8-3(6)10-4(7)9-2/h(H2,5,11)(H4,6,7,8,9,10)
InChIKeyKKWGAKWZYTWKDZ-UHFFFAOYSA-N
XLogP-1.87
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Bis(dimethylamino)-1,3,5-triazine-2-carboxamide
CID 910049
2-Carbamoyl-sym-triazine
CID 54264822
4,6-Diamino-1,3,5-triazine-2-carbohydrazide
CID 146317078
1,3,5-Triazine-2,4,6-tricarboxamide
CID 31854
6-Amino-1,3,5-triazine-2,4-dicarboxamide
CID 67444323
4,6-Dichloro-1,3,5-triazine-2-carboxamide
CID 71440777
4,6-Dimethyl-1,3,5-triazine-2-carboxamide
CID 118936004
1,3,5-Triazine-2-carboxamide;hydrochloride
CID 174617554
4-Amino-6-(trichloromethyl)-1,3,5-triazine-2-carboxamide
CID 101135403
4-Chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide
CID 119093442
6-Methyl-1,3,5-triazine-2,4-dicarboxamide
CID 129935710

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-diamino-1,3,5-triazine-2-carboxamide (CID 67444326) is 4,6-diamino-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-diamino-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-diamino-1,3,5-triazine-2-carboxamide is NC(=O)c1nc(N)nc(N)n1.
What is the InChIKey of 4,6-diamino-1,3,5-triazine-2-carboxamide?
The InChIKey is KKWGAKWZYTWKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O/c5-1(11)2-8-3(6)10-4(7)9-2/h(H2,5,11)(H4,6,7,8,9,10).
What are the key properties of 4,6-diamino-1,3,5-triazine-2-carboxamide?
4,6-diamino-1,3,5-triazine-2-carboxamide has a molecular weight of 154.13 g/mol, XLogP of -1.87, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 67444326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).