N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide

C9H11N7O — CID 79208438

IUPACN-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ncn[nH]2)nn1
InChIInChI=1S/C9H11N7O/c1-10-9(17)6-2-3-7(16-14-6)11-4-8-12-5-13-15-8/h2-3,5H,4H2,1H3,(H,10,17)(H,11,16)(H,12,13,15)
InChIKeyZCWXSLUMPGIJRS-UHFFFAOYSA-N
MW233.24 g/mol
LogP-0.43
Rot. Bonds4

About N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide

N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 79208438) has the molecular formula C9H11N7O and a molecular weight of 233.24 g/mol. Its IUPAC name is N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide
PubChem CID79208438
Molecular FormulaC9H11N7O
Molecular Weight233.24 g/mol
Exact Mass233.10
IUPAC NameN-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ncn[nH]2)nn1
InChIInChI=1S/C9H11N7O/c1-10-9(17)6-2-3-7(16-14-6)11-4-8-12-5-13-15-8/h2-3,5H,4H2,1H3,(H,10,17)(H,11,16)(H,12,13,15)
InChIKeyZCWXSLUMPGIJRS-UHFFFAOYSA-N
XLogP-0.43
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 64523985
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
N-methyl-6-(naphthalen-1-ylmethylamino)pyridazine-3-carboxamide
CID 133329112
N-methyl-6-[(1-methylpyrazol-3-yl)methylamino]pyridazine-3-carboxamide
CID 82874153
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide
CID 64524982
N-methyl-6-[(4-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211637
N-methyl-6-(naphthalen-2-ylmethylamino)pyridazine-3-carboxamide
CID 133328883
N-methyl-6-[(4-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133343379
N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211634
N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
CID 133397231
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide (CID 79208438) is N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide is CNC(=O)c1ccc(NCc2ncn[nH]2)nn1.
What is the InChIKey of N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is ZCWXSLUMPGIJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O/c1-10-9(17)6-2-3-7(16-14-6)11-4-8-12-5-13-15-8/h2-3,5H,4H2,1H3,(H,10,17)(H,11,16)(H,12,13,15).
What are the key properties of N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide?
N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 233.24 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 79208438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).