N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine

C10H13N5O — CID 4725806

IUPACN-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C10H13N5O/c1-15-10(12-13-14-15)11-7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyQMYSRGPREWTSFG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.83
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4725806) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4725806
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C10H13N5O/c1-15-10(12-13-14-15)11-7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyQMYSRGPREWTSFG-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 4725806) is N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine is COc1ccc(CNc2nnnn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is QMYSRGPREWTSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15-10(12-13-14-15)11-7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12,14).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(4-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-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4725806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).