2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine

C11H15N5O3 — CID 61149467

IUPAC2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C11H15N5O3/c1-17-6-4-7(18-2)9(8(5-6)19-3)10(12)11-13-15-16-14-11/h4-5,10H,12H2,1-3H3,(H,13,14,15,16)
InChIKeyQKQTVVWDHRHHBO-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.27
Rot. Bonds5

About 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine

2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 61149467) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine
PubChem CID61149467
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C11H15N5O3/c1-17-6-4-7(18-2)9(8(5-6)19-3)10(12)11-13-15-16-14-11/h4-5,10H,12H2,1-3H3,(H,13,14,15,16)
InChIKeyQKQTVVWDHRHHBO-UHFFFAOYSA-N
XLogP0.27
TPSA108.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dimethoxyphenyl)-(2H-tetrazol-5-yl)methanamine
CID 61149610
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
CID 116947477
2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 43344273
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
CID 60860649
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020

Frequently Asked Questions

What is the IUPAC name of 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine?
The IUPAC name of 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine (CID 61149467) is 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine.
What is the SMILES notation for 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine?
The canonical SMILES for 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine is COc1cc(OC)c(C(N)c2nn[nH]n2)c(OC)c1.
What is the InChIKey of 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine?
The InChIKey is QKQTVVWDHRHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-17-6-4-7(18-2)9(8(5-6)19-3)10(12)11-13-15-16-14-11/h4-5,10H,12H2,1-3H3,(H,13,14,15,16).
What are the key properties of 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine?
2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 265.27 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 61149467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).