N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine

C10H13N5O — CID 4727584

IUPACN-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1ccccc1CNc1nnnn1C
InChIInChI=1S/C10H13N5O/c1-15-10(12-13-14-15)11-7-8-5-3-4-6-9(8)16-2/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyUDVCPVYKIPZJLM-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.83
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4727584) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4727584
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1ccccc1CNc1nnnn1C
InChIInChI=1S/C10H13N5O/c1-15-10(12-13-14-15)11-7-8-5-3-4-6-9(8)16-2/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyUDVCPVYKIPZJLM-UHFFFAOYSA-N
XLogP0.83
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725595
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66543214
2-[2-[[(1-methyltetrazol-5-yl)amino]methyl]phenyl]acetic acid
CID 81318049
N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
CID 17057628
2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
CID 133448175
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727571
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66542807
N-[(2-methoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 6485937
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543193

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 4727584) is N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine is COc1ccccc1CNc1nnnn1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is UDVCPVYKIPZJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15-10(12-13-14-15)11-7-8-5-3-4-6-9(8)16-2/h3-6H,7H2,1-2H3,(H,11,12,14).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 219.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4727584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).