6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one

C11H11N7O — CID 107042807

IUPAC6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one
SMILESCn1nnc(Cn2cnc3ccc(N)cc3c2=O)n1
InChIInChI=1S/C11H11N7O/c1-17-15-10(14-16-17)5-18-6-13-9-3-2-7(12)4-8(9)11(18)19/h2-4,6H,5,12H2,1H3
InChIKeyCHVJGYIUIRDHJG-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.45
Rot. Bonds2

About 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one

6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one (PubChem CID 107042807) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one
PubChem CID107042807
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one
SMILESCn1nnc(Cn2cnc3ccc(N)cc3c2=O)n1
InChIInChI=1S/C11H11N7O/c1-17-15-10(14-16-17)5-18-6-13-9-3-2-7(12)4-8(9)11(18)19/h2-4,6H,5,12H2,1H3
InChIKeyCHVJGYIUIRDHJG-UHFFFAOYSA-N
XLogP-0.45
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-(3-ethylsulfanylpropyl)quinazolin-4-one
CID 113473546
6-amino-3-[(2,4-difluorophenyl)methyl]quinazolin-4-one
CID 62197646
6-amino-3-[(4-bromo-2-fluorophenyl)methyl]quinazolin-4-one
CID 43447734
5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052028
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
6-amino-3-[2-(2,2,2-trifluoroethoxy)ethyl]quinazolin-4-one
CID 61490842
6-amino-3-propan-2-ylquinazolin-4-one
CID 16641534
6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one
CID 79172302
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one
CID 46484186
3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
CID 107042816
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 30834389
3-ethyl-6-methylquinazolin-4-one
CID 70641598

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one (CID 107042807) is 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one is Cn1nnc(Cn2cnc3ccc(N)cc3c2=O)n1.
What is the InChIKey of 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is CHVJGYIUIRDHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-17-15-10(14-16-17)5-18-6-13-9-3-2-7(12)4-8(9)11(18)19/h2-4,6H,5,12H2,1H3.
What are the key properties of 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one?
6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 257.26 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 107042807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).