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

C15H23N5O3 — CID 666461

IUPAC1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23N5O3/c1-5-6-7-20-15(17-18-19-20)16-10-11-8-12(21-2)14(23-4)13(9-11)22-3/h8-9H,5-7,10H2,1-4H3,(H,16,17,19)
InChIKeyQZEYGRMFMJQBMK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.11
Rot. Bonds9

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

1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine (PubChem CID 666461) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
PubChem CID666461
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23N5O3/c1-5-6-7-20-15(17-18-19-20)16-10-11-8-12(21-2)14(23-4)13(9-11)22-3/h8-9H,5-7,10H2,1-4H3,(H,16,17,19)
InChIKeyQZEYGRMFMJQBMK-UHFFFAOYSA-N
XLogP2.11
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.11
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
1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
CID 4725810
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine (CID 666461) is 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine is CCCCn1nnnc1NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine?
The InChIKey is QZEYGRMFMJQBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-5-6-7-20-15(17-18-19-20)16-10-11-8-12(21-2)14(23-4)13(9-11)22-3/h8-9H,5-7,10H2,1-4H3,(H,16,17,19).
What are the key properties of 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine?
1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine has a molecular weight of 321.38 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 666461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).