4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

C14H21ClN4O — CID 102738878

IUPAC4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESN[C@@H]1CCCC[C@H]1Nc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H21ClN4O/c15-10-7-17-19(8-9-5-6-9)14(20)13(10)18-12-4-2-1-3-11(12)16/h7,9,11-12,18H,1-6,8,16H2/t11-,12-/m1/s1
InChIKeyBWNYSPSDCHIVCQ-VXGBXAGGSA-N
MW296.80 g/mol
LogP1.99
Rot. Bonds4

About 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 102738878) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID102738878
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESN[C@@H]1CCCC[C@H]1Nc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H21ClN4O/c15-10-7-17-19(8-9-5-6-9)14(20)13(10)18-12-4-2-1-3-11(12)16/h7,9,11-12,18H,1-6,8,16H2/t11-,12-/m1/s1
InChIKeyBWNYSPSDCHIVCQ-VXGBXAGGSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one (CID 102738878) is 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one is N[C@@H]1CCCC[C@H]1Nc1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is BWNYSPSDCHIVCQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-10-7-17-19(8-9-5-6-9)14(20)13(10)18-12-4-2-1-3-11(12)16/h7,9,11-12,18H,1-6,8,16H2/t11-,12-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
4-[[(1R,2R)-2-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-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 102738878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).