4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

C15H25ClN4O — CID 114446334

IUPAC4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESCCN(CC(C)(C)CN)c1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C15H25ClN4O/c1-4-19(10-15(2,3)9-17)13-12(16)7-18-20(14(13)21)8-11-5-6-11/h7,11H,4-6,8-10,17H2,1-3H3
InChIKeyCHAJFMBVMPNKSE-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.12
Rot. Bonds7

About 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 114446334) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID114446334
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESCCN(CC(C)(C)CN)c1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C15H25ClN4O/c1-4-19(10-15(2,3)9-17)13-12(16)7-18-20(14(13)21)8-11-5-6-11/h7,11H,4-6,8-10,17H2,1-3H3
InChIKeyCHAJFMBVMPNKSE-UHFFFAOYSA-N
XLogP2.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one (CID 114446334) is 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one is CCN(CC(C)(C)CN)c1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is CHAJFMBVMPNKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-4-19(10-15(2,3)9-17)13-12(16)7-18-20(14(13)21)8-11-5-6-11/h7,11H,4-6,8-10,17H2,1-3H3.
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 312.85 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 114446334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).