4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

C14H21ClN4O — CID 114446204

IUPAC4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESNC1CCC(Nc2c(Cl)cnn(CC3CC3)c2=O)CC1
InChIInChI=1S/C14H21ClN4O/c15-12-7-17-19(8-9-1-2-9)14(20)13(12)18-11-5-3-10(16)4-6-11/h7,9-11,18H,1-6,8,16H2
InChIKeyUYTWZEALVJXBLM-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.99
Rot. Bonds4

About 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 114446204) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID114446204
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESNC1CCC(Nc2c(Cl)cnn(CC3CC3)c2=O)CC1
InChIInChI=1S/C14H21ClN4O/c15-12-7-17-19(8-9-1-2-9)14(20)13(12)18-11-5-3-10(16)4-6-11/h7,9-11,18H,1-6,8,16H2
InChIKeyUYTWZEALVJXBLM-UHFFFAOYSA-N
XLogP1.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 102738878
4-[(4-aminocyclohexyl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114446215
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191871
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443921
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
CID 114435680
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419
5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one
CID 114437002
5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 114440605
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one (CID 114446204) is 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one is NC1CCC(Nc2c(Cl)cnn(CC3CC3)c2=O)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is UYTWZEALVJXBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-12-7-17-19(8-9-1-2-9)14(20)13(12)18-11-5-3-10(16)4-6-11/h7,9-11,18H,1-6,8,16H2.
What are the key properties of 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 296.80 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 114446204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).