(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone

C17H19N5O2 — CID 56778296

IUPAC(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone
SMILESNc1cc2c(nn1)CCN(C(=O)c1ccc(OCC3CC3)nc1)C2
InChIInChI=1S/C17H19N5O2/c18-15-7-13-9-22(6-5-14(13)20-21-15)17(23)12-3-4-16(19-8-12)24-10-11-1-2-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,18,21)
InChIKeyTXGKEHINHOVPPK-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.44
Rot. Bonds4

About (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone (PubChem CID 56778296) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone
PubChem CID56778296
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone
SMILESNc1cc2c(nn1)CCN(C(=O)c1ccc(OCC3CC3)nc1)C2
InChIInChI=1S/C17H19N5O2/c18-15-7-13-9-22(6-5-14(13)20-21-15)17(23)12-3-4-16(19-8-12)24-10-11-1-2-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,18,21)
InChIKeyTXGKEHINHOVPPK-UHFFFAOYSA-N
XLogP1.44
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
CID 56778343
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 71932989
6-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 66324302
[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375282
[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 91917934
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-pyridinyl)methanone
CID 41310564
[6-(cyclopropylmethoxy)-3-pyridinyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95781185
[3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone
CID 158139167
1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-thiophen-2-ylethanone
CID 56778204
6-(cyclopropylmethoxy)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
CID 95777016
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[2-(3-methylphenyl)triazol-4-yl]methanone
CID 71932991

Frequently Asked Questions

What is the IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone?
The IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone (CID 56778296) is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone?
The canonical SMILES for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone is Nc1cc2c(nn1)CCN(C(=O)c1ccc(OCC3CC3)nc1)C2.
What is the InChIKey of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone?
The InChIKey is TXGKEHINHOVPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c18-15-7-13-9-22(6-5-14(13)20-21-15)17(23)12-3-4-16(19-8-12)24-10-11-1-2-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,18,21).
What are the key properties of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone?
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone has a molecular weight of 325.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[6-(cyclopropylmethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 56778296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).