2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one

C13H15N5O — CID 139019578

IUPAC2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCCn1cc(C2NC(=O)c3ccccc3N2C)nn1
InChIInChI=1S/C13H15N5O/c1-3-18-8-10(15-16-18)12-14-13(19)9-6-4-5-7-11(9)17(12)2/h4-8,12H,3H2,1-2H3,(H,14,19)
InChIKeyQVOIYRWWCDMFSA-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.18
Rot. Bonds2

About 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one

2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 139019578) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID139019578
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCCn1cc(C2NC(=O)c3ccccc3N2C)nn1
InChIInChI=1S/C13H15N5O/c1-3-18-8-10(15-16-18)12-14-13(19)9-6-4-5-7-11(9)17(12)2/h4-8,12H,3H2,1-2H3,(H,14,19)
InChIKeyQVOIYRWWCDMFSA-UHFFFAOYSA-N
XLogP1.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 25347209
(2R)-2-[(E)-2-(1-benzyltriazol-4-yl)ethenyl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 25346849
(2S)-1-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-2,3-dihydroquinazolin-4-one
CID 52529924
4-[[4-(1,3-dimethyl-4-oxo-2H-quinazolin-2-yl)triazol-1-yl]methyl]benzonitrile
CID 132653994
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-1,3-dimethyl-2H-quinazolin-4-one
CID 132655088
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 18281605
2-(4-bromothiophen-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 2799214
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
CID 14920471
1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
CID 146124492
(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 139148239
(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40809665
(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 163006943

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one (CID 139019578) is 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one is CCn1cc(C2NC(=O)c3ccccc3N2C)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is QVOIYRWWCDMFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-18-8-10(15-16-18)12-14-13(19)9-6-4-5-7-11(9)17(12)2/h4-8,12H,3H2,1-2H3,(H,14,19).
What are the key properties of 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 257.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 139019578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).