6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide

C19H21N7O — CID 133363865

IUPAC6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESCc1nc(C2CCCN(c3ccc(C(=O)Nc4ccccc4)nn3)C2)n[nH]1
InChIInChI=1S/C19H21N7O/c1-13-20-18(25-22-13)14-6-5-11-26(12-14)17-10-9-16(23-24-17)19(27)21-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,21,27)(H,20,22,25)
InChIKeyPWRZNLIEDVIYMW-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.54
Rot. Bonds4

About 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide

6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133363865) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
PubChem CID133363865
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESCc1nc(C2CCCN(c3ccc(C(=O)Nc4ccccc4)nn3)C2)n[nH]1
InChIInChI=1S/C19H21N7O/c1-13-20-18(25-22-13)14-6-5-11-26(12-14)17-10-9-16(23-24-17)19(27)21-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,21,27)(H,20,22,25)
InChIKeyPWRZNLIEDVIYMW-UHFFFAOYSA-N
XLogP2.54
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
N-phenyl-6-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133313626
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
CID 146045794
6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133497494
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313359
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
N-(4-cyanophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126028

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide (CID 133363865) is 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide is Cc1nc(C2CCCN(c3ccc(C(=O)Nc4ccccc4)nn3)C2)n[nH]1.
What is the InChIKey of 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is PWRZNLIEDVIYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-13-20-18(25-22-13)14-6-5-11-26(12-14)17-10-9-16(23-24-17)19(27)21-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,21,27)(H,20,22,25).
What are the key properties of 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133363865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).