(3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide

C12H16N5O2- — CID 135789050

IUPAC(3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
SMILESCCOc1ccc(C[N-]c2nn[nH]n2)cc1OCC
InChIInChI=1S/C12H16N5O2/c1-3-18-10-6-5-9(7-11(10)19-4-2)8-13-12-14-16-17-15-12/h5-7H,3-4,8H2,1-2H3,(H-,13,14,15,16,17)/q-1
InChIKeyBJHZBENWSBMIPB-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.20
Rot. Bonds7

About (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide

(3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide (PubChem CID 135789050) has the molecular formula C12H16N5O2- and a molecular weight of 262.29 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
PubChem CID135789050
Molecular FormulaC12H16N5O2-
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name(3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
SMILESCCOc1ccc(C[N-]c2nn[nH]n2)cc1OCC
InChIInChI=1S/C12H16N5O2/c1-3-18-10-6-5-9(7-11(10)19-4-2)8-13-12-14-16-17-15-12/h5-7H,3-4,8H2,1-2H3,(H-,13,14,15,16,17)/q-1
InChIKeyBJHZBENWSBMIPB-UHFFFAOYSA-N
XLogP2.20
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide
CID 135789056
(3,4-diethoxyphenyl)methylazanium
CID 7019296
1,2-diethoxy-4-propylbenzene
CID 3995471
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
2-(3,4-diethoxyphenyl)ethanimidamide
CID 4071975
1-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251
4-cyclopropyl-3-[(3,4-diethoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 17021247
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
4-(2-bromobutyl)-1,2-diethoxybenzene
CID 82254956
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The IUPAC name of (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide (CID 135789050) is (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide is CCOc1ccc(C[N-]c2nn[nH]n2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The InChIKey is BJHZBENWSBMIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N5O2/c1-3-18-10-6-5-9(7-11(10)19-4-2)8-13-12-14-16-17-15-12/h5-7H,3-4,8H2,1-2H3,(H-,13,14,15,16,17)/q-1.
What are the key properties of (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide?
(3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide has a molecular weight of 262.29 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 135789050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).