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

C13H18N6O2 — CID 64511849

IUPAC1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)Cc2ncn[nH]2)ccc1=O
InChIInChI=1S/C13H18N6O2/c1-3-4-7-19-12(20)6-5-10(17-19)13(21)18(2)8-11-14-9-15-16-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16)
InChIKeyBXAKVXVPGXOUFY-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.43
Rot. Bonds6

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

1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (PubChem CID 64511849) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
PubChem CID64511849
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)Cc2ncn[nH]2)ccc1=O
InChIInChI=1S/C13H18N6O2/c1-3-4-7-19-12(20)6-5-10(17-19)13(21)18(2)8-11-14-9-15-16-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16)
InChIKeyBXAKVXVPGXOUFY-UHFFFAOYSA-N
XLogP0.43
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 55328835
1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 78770523
1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 31645263
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
CID 64510855
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
6-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64519120
N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64517564
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
CID 64511665

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (CID 64511849) is 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is CCCCn1nc(C(=O)N(C)Cc2ncn[nH]2)ccc1=O.
What is the InChIKey of 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is BXAKVXVPGXOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-3-4-7-19-12(20)6-5-10(17-19)13(21)18(2)8-11-14-9-15-16-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 64511849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).