4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide

C9H13N9O — CID 139014293

IUPAC4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide
SMILESCN(C)c1nc(N)nc(C(=O)Nc2cn(C)nn2)n1
InChIInChI=1S/C9H13N9O/c1-17(2)9-13-6(12-8(10)14-9)7(19)11-5-4-18(3)16-15-5/h4H,1-3H3,(H,11,19)(H2,10,12,13,14)
InChIKeyBAGGDTOMTATOHY-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.10
Rot. Bonds3

About 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide

4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide (PubChem CID 139014293) has the molecular formula C9H13N9O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide
PubChem CID139014293
Molecular FormulaC9H13N9O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide
SMILESCN(C)c1nc(N)nc(C(=O)Nc2cn(C)nn2)n1
InChIInChI=1S/C9H13N9O/c1-17(2)9-13-6(12-8(10)14-9)7(19)11-5-4-18(3)16-15-5/h4H,1-3H3,(H,11,19)(H2,10,12,13,14)
InChIKeyBAGGDTOMTATOHY-UHFFFAOYSA-N
XLogP-1.10
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide (CID 139014293) is 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide is CN(C)c1nc(N)nc(C(=O)Nc2cn(C)nn2)n1.
What is the InChIKey of 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide?
The InChIKey is BAGGDTOMTATOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N9O/c1-17(2)9-13-6(12-8(10)14-9)7(19)11-5-4-18(3)16-15-5/h4H,1-3H3,(H,11,19)(H2,10,12,13,14).
What are the key properties of 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide?
4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide has a molecular weight of 263.26 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(dimethylamino)-N-(1-methyltriazol-4-yl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 139014293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).