5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one

C12H14ClN5O — CID 114434219

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one
SMILESO=c1c(NCc2cn[nH]c2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C12H14ClN5O/c13-10-6-17-18(7-8-1-2-8)12(19)11(10)14-3-9-4-15-16-5-9/h4-6,8,14H,1-3,7H2,(H,15,16)
InChIKeyWNFWRFYIMQKTIQ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.64
Rot. Bonds5

About 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one (PubChem CID 114434219) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one
PubChem CID114434219
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one
SMILESO=c1c(NCc2cn[nH]c2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C12H14ClN5O/c13-10-6-17-18(7-8-1-2-8)12(19)11(10)14-3-9-4-15-16-5-9/h4-6,8,14H,1-3,7H2,(H,15,16)
InChIKeyWNFWRFYIMQKTIQ-UHFFFAOYSA-N
XLogP1.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-4-[(4-hydroxyphenyl)methylamino]pyridazin-3-one
CID 114443484
5-chloro-2-(cyclopropylmethyl)-4-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436443
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
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-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
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
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-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one (CID 114434219) is 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one is O=c1c(NCc2cn[nH]c2)c(Cl)cnn1CC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one?
The InChIKey is WNFWRFYIMQKTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-10-6-17-18(7-8-1-2-8)12(19)11(10)14-3-9-4-15-16-5-9/h4-6,8,14H,1-3,7H2,(H,15,16).
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one has a molecular weight of 279.73 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114434219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).