5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide

C13H17ClN8O2 — CID 138612958

IUPAC5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nn[nH]n2)c(Cl)c(C2CCC(N)CC2)c1=O
InChIInChI=1S/C13H17ClN8O2/c1-22-12(24)8(6-2-4-7(15)5-3-6)9(14)10(19-22)11(23)16-13-17-20-21-18-13/h6-7H,2-5,15H2,1H3,(H2,16,17,18,20,21,23)
InChIKeyUPPMEJZDAXIWGY-UHFFFAOYSA-N
MW352.79 g/mol
LogP0.18
Rot. Bonds3

About 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide

5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide (PubChem CID 138612958) has the molecular formula C13H17ClN8O2 and a molecular weight of 352.79 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide
PubChem CID138612958
Molecular FormulaC13H17ClN8O2
Molecular Weight352.79 g/mol
Exact Mass352.12
IUPAC Name5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nn[nH]n2)c(Cl)c(C2CCC(N)CC2)c1=O
InChIInChI=1S/C13H17ClN8O2/c1-22-12(24)8(6-2-4-7(15)5-3-6)9(14)10(19-22)11(23)16-13-17-20-21-18-13/h6-7H,2-5,15H2,1H3,(H2,16,17,18,20,21,23)
InChIKeyUPPMEJZDAXIWGY-UHFFFAOYSA-N
XLogP0.18
TPSA144.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide with MolForge

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Related Compounds

4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide
CID 138612962
1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide
CID 138612961
3,6-dimethyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 13209568
4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 145221582
3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
CID 119676103
4-(2-hydroxyethyl)-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491293
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 4550448
2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide
CID 130734610
3-amino-N-(2H-tetrazol-5-yl)propanamide;hydrochloride
CID 130725338
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
CID 22501855

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide?
The IUPAC name of 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide (CID 138612958) is 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide?
The canonical SMILES for 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2nn[nH]n2)c(Cl)c(C2CCC(N)CC2)c1=O.
What is the InChIKey of 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide?
The InChIKey is UPPMEJZDAXIWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN8O2/c1-22-12(24)8(6-2-4-7(15)5-3-6)9(14)10(19-22)11(23)16-13-17-20-21-18-13/h6-7H,2-5,15H2,1H3,(H2,16,17,18,20,21,23).
What are the key properties of 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide?
5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide has a molecular weight of 352.79 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminocyclohexyl)-4-chloro-1-methyl-6-oxo-N-(2H-tetrazol-5-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 138612958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).