3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione

C18H17N7O2 — CID 57393257

IUPAC3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
SMILESC[C@H](Cn1cccn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O
InChIInChI=1S/C18H17N7O2/c1-11(9-23-6-2-5-20-23)24-10-19-15-7-14-16(8-13(15)17(24)26)21-22-25(18(14)27)12-3-4-12/h2,5-8,10-12H,3-4,9H2,1H3/t11-/m1/s1
InChIKeyLZWFZEZSYUNIHN-LLVKDONJSA-N
MW363.38 g/mol
LogP1.29
Rot. Bonds4

About 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione

3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione (PubChem CID 57393257) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione.

Molecular Properties

Compound Name3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
PubChem CID57393257
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
SMILESC[C@H](Cn1cccn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O
InChIInChI=1S/C18H17N7O2/c1-11(9-23-6-2-5-20-23)24-10-19-15-7-14-16(8-13(15)17(24)26)21-22-25(18(14)27)12-3-4-12/h2,5-8,10-12H,3-4,9H2,1H3/t11-/m1/s1
InChIKeyLZWFZEZSYUNIHN-LLVKDONJSA-N
XLogP1.29
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-cyclopropyl-3-[(2R)-1-(triazol-1-yl)propan-2-yl]triazino[4,5-g][1,2,3]benzotriazine-4,9-dione
CID 57398510
3,8-bis[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g]quinazoline-4,9-dione
CID 57403711
N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 164628162
N-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-3-[(1-methylpyrazol-4-yl)methyl]-4-oxoquinazoline-7-carboxamide
CID 44523910
6-methyl-3-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]quinazolin-4(3H)-one
CID 45929533
6-fluoro-3-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]quinazolin-4(3H)-one
CID 45930133
5-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)quinazolin-4-one
CID 45932431
5-fluoro-3-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]quinazolin-4(3H)-one
CID 45932523
1-[3-(3-Pyrazol-1-ylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 53554457
3-cyclopropyl-8-[(2R)-1-(triazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
CID 57393256
3-methyl-8-[(2R)-1-(triazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
CID 57394975
2-[(2R)-2-(3-cyclopropyl-4,9-dioxopyrimido[4,5-g][1,2,3]benzotriazin-8-yl)propyl]triazole-4-carbonitrile
CID 57398499

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione?
The IUPAC name of 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione (CID 57393257) is 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione.
What is the SMILES notation for 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione?
The canonical SMILES for 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione is C[C@H](Cn1cccn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O.
What is the InChIKey of 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione?
The InChIKey is LZWFZEZSYUNIHN-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-11(9-23-6-2-5-20-23)24-10-19-15-7-14-16(8-13(15)17(24)26)21-22-25(18(14)27)12-3-4-12/h2,5-8,10-12H,3-4,9H2,1H3/t11-/m1/s1.
What are the key properties of 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione?
3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione has a molecular weight of 363.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-8-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione is sourced from PubChem (CID 57393257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).