1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine

C12H17N5O3 — CID 4725810

IUPAC1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
SMILESCOc1cc(CNc2nnnn2C)cc(OC)c1OC
InChIInChI=1S/C12H17N5O3/c1-17-12(14-15-16-17)13-7-8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,7H2,1-4H3,(H,13,14,16)
InChIKeyVVWLHZFNRQKVGZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.85
Rot. Bonds6

About 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine

1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine (PubChem CID 4725810) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
PubChem CID4725810
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
SMILESCOc1cc(CNc2nnnn2C)cc(OC)c1OC
InChIInChI=1S/C12H17N5O3/c1-17-12(14-15-16-17)13-7-8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,7H2,1-4H3,(H,13,14,16)
InChIKeyVVWLHZFNRQKVGZ-UHFFFAOYSA-N
XLogP0.85
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725753
N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725808
N-(2-ethoxy-3-methoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 834552
N-[(2,3-dimethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725752
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725761
N-[(2,4-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727790
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(2,3,4-trimethoxybenzyl)ethanamine hydrochloride
CID 16192654
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(2,4,5-trimethoxybenzyl)ethanamine hydrochloride
CID 16192674
5-(4-Methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3538133
5-Phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4119443
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725748
N-(2,3-dimethoxybenzyl)-1-methyl-1H-tetrazol-5-amine
CID 4725750

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine (CID 4725810) is 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine is COc1cc(CNc2nnnn2C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine?
The InChIKey is VVWLHZFNRQKVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-17-12(14-15-16-17)13-7-8-5-9(18-2)11(20-4)10(6-8)19-3/h5-6H,7H2,1-4H3,(H,13,14,16).
What are the key properties of 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine?
1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine has a molecular weight of 279.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 4725810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).