4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide

C15H20ClN7O2 — CID 138612962

IUPAC4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide
SMILESCCCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCC2)c1Cl
InChIInChI=1S/C15H20ClN7O2/c1-3-8-23-15(18-20-21-23)17-13(24)12-11(16)10(9-6-4-5-7-9)14(25)22(2)19-12/h9H,3-8H2,1-2H3,(H,17,18,21,24)
InChIKeyWLQQWNSOFOFJLE-UHFFFAOYSA-N
MW365.83 g/mol
LogP1.74
Rot. Bonds5

About 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide

4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide (PubChem CID 138612962) has the molecular formula C15H20ClN7O2 and a molecular weight of 365.83 g/mol. Its IUPAC name is 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide
PubChem CID138612962
Molecular FormulaC15H20ClN7O2
Molecular Weight365.83 g/mol
Exact Mass365.14
IUPAC Name4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide
SMILESCCCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCC2)c1Cl
InChIInChI=1S/C15H20ClN7O2/c1-3-8-23-15(18-20-21-23)17-13(24)12-11(16)10(9-6-4-5-7-9)14(25)22(2)19-12/h9H,3-8H2,1-2H3,(H,17,18,21,24)
InChIKeyWLQQWNSOFOFJLE-UHFFFAOYSA-N
XLogP1.74
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide
CID 138612961
4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide
CID 118652771
5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide
CID 138612958
4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 145221582
5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide
CID 123738350
4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 126653126
4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 118347370
2-chloro-5-nitro-N-(1-propyltetrazol-5-yl)benzamide
CID 960311
2-chloro-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 960258
(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
CID 960270
4-chloro-1-methyl-5-(3-methylsulfonylphenyl)-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 118347373
4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide
CID 134354262

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide?
The IUPAC name of 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide (CID 138612962) is 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide is CCCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCC2)c1Cl.
What is the InChIKey of 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide?
The InChIKey is WLQQWNSOFOFJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN7O2/c1-3-8-23-15(18-20-21-23)17-13(24)12-11(16)10(9-6-4-5-7-9)14(25)22(2)19-12/h9H,3-8H2,1-2H3,(H,17,18,21,24).
What are the key properties of 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide?
4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide has a molecular weight of 365.83 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 138612962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).