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

C14H15N5O — CID 834540

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1ccc2ccccc2c1CNc1nnnn1C
InChIInChI=1S/C14H15N5O/c1-19-14(16-17-18-19)15-9-12-11-6-4-3-5-10(11)7-8-13(12)20-2/h3-8H,9H2,1-2H3,(H,15,16,18)
InChIKeyRQQINYNYMNUEPL-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.98
Rot. Bonds4

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

N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine (PubChem CID 834540) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
PubChem CID834540
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1ccc2ccccc2c1CNc1nnnn1C
InChIInChI=1S/C14H15N5O/c1-19-14(16-17-18-19)15-9-12-11-6-4-3-5-10(11)7-8-13(12)20-2/h3-8H,9H2,1-2H3,(H,15,16,18)
InChIKeyRQQINYNYMNUEPL-UHFFFAOYSA-N
XLogP1.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine (CID 834540) is N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine is COc1ccc2ccccc2c1CNc1nnnn1C.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is RQQINYNYMNUEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-14(16-17-18-19)15-9-12-11-6-4-3-5-10(11)7-8-13(12)20-2/h3-8H,9H2,1-2H3,(H,15,16,18).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine?
N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 269.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 834540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).