6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one

C10H10N6O2 — CID 107042825

IUPAC6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one
SMILESCn1nnc(Cn2c(=O)oc3cc(N)ccc32)n1
InChIInChI=1S/C10H10N6O2/c1-15-13-9(12-14-15)5-16-7-3-2-6(11)4-8(7)18-10(16)17/h2-4H,5,11H2,1H3
InChIKeyQGRPLMPGXHVCEP-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.25
Rot. Bonds2

About 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one

6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 107042825) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID107042825
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one
SMILESCn1nnc(Cn2c(=O)oc3cc(N)ccc32)n1
InChIInChI=1S/C10H10N6O2/c1-15-13-9(12-14-15)5-16-7-3-2-6(11)4-8(7)18-10(16)17/h2-4H,5,11H2,1H3
InChIKeyQGRPLMPGXHVCEP-UHFFFAOYSA-N
XLogP-0.25
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one (CID 107042825) is 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one is Cn1nnc(Cn2c(=O)oc3cc(N)ccc32)n1.
What is the InChIKey of 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is QGRPLMPGXHVCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-15-13-9(12-14-15)5-16-7-3-2-6(11)4-8(7)18-10(16)17/h2-4H,5,11H2,1H3.
What are the key properties of 6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one?
6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 246.23 g/mol, XLogP of -0.25, 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]-1,3-benzoxazol-2-one is sourced from PubChem (CID 107042825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).