5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one

C12H15ClN6O — CID 114441727

IUPAC5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one
SMILESO=c1c(NCCn2ccnn2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C12H15ClN6O/c13-10-7-16-19(8-9-1-2-9)12(20)11(10)14-3-5-18-6-4-15-17-18/h4,6-7,9,14H,1-3,5,8H2
InChIKeySNAPNZGZNPOGIU-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.01
Rot. Bonds6

About 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one (PubChem CID 114441727) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one
PubChem CID114441727
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one
SMILESO=c1c(NCCn2ccnn2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C12H15ClN6O/c13-10-7-16-19(8-9-1-2-9)12(20)11(10)14-3-5-18-6-4-15-17-18/h4,6-7,9,14H,1-3,5,8H2
InChIKeySNAPNZGZNPOGIU-UHFFFAOYSA-N
XLogP1.01
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(5,5,5-trifluoropentylamino)pyridazin-3-one
CID 114440834
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one
CID 114440942
5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104972885
5-chloro-2-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
CID 107850449
5-chloro-2-(cyclobutylmethyl)-4-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430881

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one (CID 114441727) is 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one is O=c1c(NCCn2ccnn2)c(Cl)cnn1CC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one?
The InChIKey is SNAPNZGZNPOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c13-10-7-16-19(8-9-1-2-9)12(20)11(10)14-3-5-18-6-4-15-17-18/h4,6-7,9,14H,1-3,5,8H2.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one has a molecular weight of 294.75 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114441727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).