2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C12H15N5O — CID 135876305

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1cc(N)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1
InChIInChI=1S/C12H15N5O/c1-7-6-10(13)17(16-7)12-14-9-5-3-2-4-8(9)11(18)15-12/h6H,2-5,13H2,1H3,(H,14,15,18)
InChIKeyBPJDVEDTRPXBRT-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.73
Rot. Bonds1

About 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135876305) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135876305
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCc1cc(N)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1
InChIInChI=1S/C12H15N5O/c1-7-6-10(13)17(16-7)12-14-9-5-3-2-4-8(9)11(18)15-12/h6H,2-5,13H2,1H3,(H,14,15,18)
InChIKeyBPJDVEDTRPXBRT-UHFFFAOYSA-N
XLogP0.73
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135876305) is 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is Cc1cc(N)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is BPJDVEDTRPXBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-6-10(13)17(16-7)12-14-9-5-3-2-4-8(9)11(18)15-12/h6H,2-5,13H2,1H3,(H,14,15,18).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 245.29 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135876305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).