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

C15H17N5O — CID 834713

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1ccc2ccccc2c1CNc1nnnn1C
InChIInChI=1S/C15H17N5O/c1-3-21-14-9-8-11-6-4-5-7-12(11)13(14)10-16-15-17-18-19-20(15)2/h4-9H,3,10H2,1-2H3,(H,16,17,19)
InChIKeyLOXILTPKDFGYBB-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.37
Rot. Bonds5

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

N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine (PubChem CID 834713) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
PubChem CID834713
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1ccc2ccccc2c1CNc1nnnn1C
InChIInChI=1S/C15H17N5O/c1-3-21-14-9-8-11-6-4-5-7-12(11)13(14)10-16-15-17-18-19-20(15)2/h4-9H,3,10H2,1-2H3,(H,16,17,19)
InChIKeyLOXILTPKDFGYBB-UHFFFAOYSA-N
XLogP2.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine (CID 834713) is N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine is CCOc1ccc2ccccc2c1CNc1nnnn1C.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is LOXILTPKDFGYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-21-14-9-8-11-6-4-5-7-12(11)13(14)10-16-15-17-18-19-20(15)2/h4-9H,3,10H2,1-2H3,(H,16,17,19).
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine?
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 283.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 834713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).