2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride

C18H23ClN6O — CID 168869112

IUPAC2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)C(N)=C(C2CC2)C2CC2)nn1.Cl
InChIInChI=1S/C18H22N6O.ClH/c1-9-15(10(2)22-21-9)13-7-8-14(24-23-13)20-18(25)17(19)16(11-3-4-11)12-5-6-12;/h7-8,11-12H,3-6,19H2,1-2H3,(H,21,22)(H,20,24,25);1H
InChIKeyGOVSVQJKXHTSRN-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.88
Rot. Bonds5

About 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride

2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride (PubChem CID 168869112) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride
PubChem CID168869112
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)C(N)=C(C2CC2)C2CC2)nn1.Cl
InChIInChI=1S/C18H22N6O.ClH/c1-9-15(10(2)22-21-9)13-7-8-14(24-23-13)20-18(25)17(19)16(11-3-4-11)12-5-6-12;/h7-8,11-12H,3-6,19H2,1-2H3,(H,21,22)(H,20,24,25);1H
InChIKeyGOVSVQJKXHTSRN-UHFFFAOYSA-N
XLogP2.88
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride?
The IUPAC name of 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride (CID 168869112) is 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride.
What is the SMILES notation for 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride?
The canonical SMILES for 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride is Cc1n[nH]c(C)c1-c1ccc(NC(=O)C(N)=C(C2CC2)C2CC2)nn1.Cl.
What is the InChIKey of 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride?
The InChIKey is GOVSVQJKXHTSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O.ClH/c1-9-15(10(2)22-21-9)13-7-8-14(24-23-13)20-18(25)17(19)16(11-3-4-11)12-5-6-12;/h7-8,11-12H,3-6,19H2,1-2H3,(H,21,22)(H,20,24,25);1H.
What are the key properties of 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride?
2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride has a molecular weight of 374.88 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dicyclopropyl-N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)pyridazin-3-yl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 168869112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).