4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one

C9H10N6O — CID 135609644

IUPAC4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one
SMILESCN(N)c1nc(-c2ccccn2)[nH]c(=O)n1
InChIInChI=1S/C9H10N6O/c1-15(10)8-12-7(13-9(16)14-8)6-4-2-3-5-11-6/h2-5H,10H2,1H3,(H,12,13,14,16)
InChIKeyNDVSSKXSBPMKHR-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.46
Rot. Bonds2

About 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one

4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one (PubChem CID 135609644) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one
PubChem CID135609644
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one
SMILESCN(N)c1nc(-c2ccccn2)[nH]c(=O)n1
InChIInChI=1S/C9H10N6O/c1-15(10)8-12-7(13-9(16)14-8)6-4-2-3-5-11-6/h2-5H,10H2,1H3,(H,12,13,14,16)
InChIKeyNDVSSKXSBPMKHR-UHFFFAOYSA-N
XLogP-0.46
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
CID 83647798
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
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4-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136795513
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
CID 176706705
CID 176706705
4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 113241920
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
CID 500949
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540
6-methyl-2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
CID 79796383
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598

Frequently Asked Questions

What is the IUPAC name of 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one (CID 135609644) is 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one is CN(N)c1nc(-c2ccccn2)[nH]c(=O)n1.
What is the InChIKey of 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one?
The InChIKey is NDVSSKXSBPMKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c1-15(10)8-12-7(13-9(16)14-8)6-4-2-3-5-11-6/h2-5H,10H2,1H3,(H,12,13,14,16).
What are the key properties of 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one?
4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one has a molecular weight of 218.22 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methyl)amino]-6-pyridin-2-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135609644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).