6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one

C19H21N5O2 — CID 145271926

IUPAC6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc3cc(NCC4CC4)cc4c3n2CCCO4)ccc1=O
InChIInChI=1S/C19H21N5O2/c1-23-17(25)6-5-14(22-23)19-21-15-9-13(20-11-12-3-4-12)10-16-18(15)24(19)7-2-8-26-16/h5-6,9-10,12,20H,2-4,7-8,11H2,1H3
InChIKeyQDAVAQAXIOKPMI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.40
Rot. Bonds4

About 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one

6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one (PubChem CID 145271926) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one
PubChem CID145271926
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc3cc(NCC4CC4)cc4c3n2CCCO4)ccc1=O
InChIInChI=1S/C19H21N5O2/c1-23-17(25)6-5-14(22-23)19-21-15-9-13(20-11-12-3-4-12)10-16-18(15)24(19)7-2-8-26-16/h5-6,9-10,12,20H,2-4,7-8,11H2,1H3
InChIKeyQDAVAQAXIOKPMI-UHFFFAOYSA-N
XLogP2.40
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one (CID 145271926) is 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one is Cn1nc(-c2nc3cc(NCC4CC4)cc4c3n2CCCO4)ccc1=O.
What is the InChIKey of 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one?
The InChIKey is QDAVAQAXIOKPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-17(25)6-5-14(22-23)19-21-15-9-13(20-11-12-3-4-12)10-16-18(15)24(19)7-2-8-26-16/h5-6,9-10,12,20H,2-4,7-8,11H2,1H3.
What are the key properties of 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one?
6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one has a molecular weight of 351.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(cyclopropylmethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 145271926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).