(3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide

C10H12N5O- — CID 135789047

IUPAC(3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
SMILESCCOc1cccc(C[N-]c2nn[nH]n2)c1
InChIInChI=1S/C10H12N5O/c1-2-16-9-5-3-4-8(6-9)7-11-10-12-14-15-13-10/h3-6H,2,7H2,1H3,(H-,11,12,13,14,15)/q-1
InChIKeyLEKFKLXGQDYKOL-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.80
Rot. Bonds5

About (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide

(3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide (PubChem CID 135789047) has the molecular formula C10H12N5O- and a molecular weight of 218.24 g/mol. Its IUPAC name is (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide.

Molecular Properties

Compound Name(3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
PubChem CID135789047
Molecular FormulaC10H12N5O-
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name(3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
SMILESCCOc1cccc(C[N-]c2nn[nH]n2)c1
InChIInChI=1S/C10H12N5O/c1-2-16-9-5-3-4-8(6-9)7-11-10-12-14-15-13-10/h3-6H,2,7H2,1H3,(H-,11,12,13,14,15)/q-1
InChIKeyLEKFKLXGQDYKOL-UHFFFAOYSA-N
XLogP1.80
TPSA77.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide
CID 135789050
(3-ethoxyphenyl)methanethiol
CID 79885244
5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole
CID 68826237
(3-ethoxyphenyl)methyl-trimethylazanium
CID 23274216
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
2-(3-ethoxyphenyl)ethanimidamide
CID 4114058
1-but-3-ynyl-3-ethoxybenzene
CID 164663959
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The IUPAC name of (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide (CID 135789047) is (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide.
What is the SMILES notation for (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The canonical SMILES for (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide is CCOc1cccc(C[N-]c2nn[nH]n2)c1.
What is the InChIKey of (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide?
The InChIKey is LEKFKLXGQDYKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N5O/c1-2-16-9-5-3-4-8(6-9)7-11-10-12-14-15-13-10/h3-6H,2,7H2,1H3,(H-,11,12,13,14,15)/q-1.
What are the key properties of (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide?
(3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide has a molecular weight of 218.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)methyl-(2H-tetrazol-5-yl)azanide is sourced from PubChem (CID 135789047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).