5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one

C10H12ClN7O — CID 114436443

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
SMILESO=c1c(NCc2nn[nH]n2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C10H12ClN7O/c11-7-3-13-18(5-6-1-2-6)10(19)9(7)12-4-8-14-16-17-15-8/h3,6,12H,1-2,4-5H2,(H,14,15,16,17)
InChIKeyCDBROSPILSOYSH-UHFFFAOYSA-N
MW281.71 g/mol
LogP0.43
Rot. Bonds5

About 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one (PubChem CID 114436443) has the molecular formula C10H12ClN7O and a molecular weight of 281.71 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
PubChem CID114436443
Molecular FormulaC10H12ClN7O
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
SMILESO=c1c(NCc2nn[nH]n2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C10H12ClN7O/c11-7-3-13-18(5-6-1-2-6)10(19)9(7)12-4-8-14-16-17-15-8/h3,6,12H,1-2,4-5H2,(H,14,15,16,17)
InChIKeyCDBROSPILSOYSH-UHFFFAOYSA-N
XLogP0.43
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one
CID 114434219
5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
CID 114443484
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
CID 114440942
5-chloro-2-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-2-hydroxypropanamide
CID 106177775
5-chloro-2-(cyclopropylmethyl)-4-[(3-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107413990
5-chloro-2-(cyclopropylmethyl)-4-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 114437860

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one (CID 114436443) is 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one is O=c1c(NCc2nn[nH]n2)c(Cl)cnn1CC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The InChIKey is CDBROSPILSOYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7O/c11-7-3-13-18(5-6-1-2-6)10(19)9(7)12-4-8-14-16-17-15-8/h3,6,12H,1-2,4-5H2,(H,14,15,16,17).
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one has a molecular weight of 281.71 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114436443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).