N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine

C11H15N5O3 — CID 4726696

IUPACN-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(OC)c(OC)cc1CNc1nn[nH]n1
InChIInChI=1S/C11H15N5O3/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-12-11-13-15-16-14-11/h4-5H,6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyHEQJHVNODAIENL-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.84
Rot. Bonds6

About N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 4726696) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID4726696
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC NameN-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1cc(OC)c(OC)cc1CNc1nn[nH]n1
InChIInChI=1S/C11H15N5O3/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-12-11-13-15-16-14-11/h4-5H,6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyHEQJHVNODAIENL-UHFFFAOYSA-N
XLogP0.84
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543142
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542280
2-[5-bromo-2-methoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 66544445
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542076
3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 775198
N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine
CID 139628212
5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865684
N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine
CID 4727778
N-[(2-methylpropan-2-yl)oxy]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 82719803
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
CID 5035855

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 4726696) is N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine is COc1cc(OC)c(OC)cc1CNc1nn[nH]n1.
What is the InChIKey of N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is HEQJHVNODAIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-12-11-13-15-16-14-11/h4-5H,6H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 265.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4726696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).