1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one

C19H24N6O2 — CID 110212965

IUPAC1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1C2CCC1c1cnc(N3CCOCC3)nc1C2
InChIInChI=1S/C19H24N6O2/c26-18(4-7-24-6-1-5-21-24)25-14-2-3-17(25)15-13-20-19(22-16(15)12-14)23-8-10-27-11-9-23/h1,5-6,13-14,17H,2-4,7-12H2
InChIKeyAZZZRODOKPTVAN-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.19
Rot. Bonds4

About 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one

1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 110212965) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID110212965
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1C2CCC1c1cnc(N3CCOCC3)nc1C2
InChIInChI=1S/C19H24N6O2/c26-18(4-7-24-6-1-5-21-24)25-14-2-3-17(25)15-13-20-19(22-16(15)12-14)23-8-10-27-11-9-23/h1,5-6,13-14,17H,2-4,7-12H2
InChIKeyAZZZRODOKPTVAN-UHFFFAOYSA-N
XLogP1.19
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-1-[(1R,9S)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]ethanone
CID 51587320
(2-ethylsulfonylphenyl)-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone
CID 46953644
(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone
CID 46961279
(3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
CID 98136623
2-[[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methyl]phenol
CID 98058727
4-[(1R,9S)-12-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine
CID 92589615
4-[12-[(2-propylpyrimidin-5-yl)methyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine
CID 110212961
4-[(1R,9R)-12-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine
CID 98058756
4-[12-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine
CID 110212941
4-[12-[3-(furan-2-yl)prop-2-enyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine
CID 171147676
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyrazol-1-ylpropan-1-one
CID 63763456
N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 92578320

Frequently Asked Questions

What is the IUPAC name of 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one (CID 110212965) is 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1C2CCC1c1cnc(N3CCOCC3)nc1C2.
What is the InChIKey of 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is AZZZRODOKPTVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-18(4-7-24-6-1-5-21-24)25-14-2-3-17(25)15-13-20-19(22-16(15)12-14)23-8-10-27-11-9-23/h1,5-6,13-14,17H,2-4,7-12H2.
What are the key properties of 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one?
1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 368.44 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 110212965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).