1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine

C14H15N5 — CID 4727868

IUPAC1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine
SMILESCCn1nnnc1NCc1cccc2ccccc12
InChIInChI=1S/C14H15N5/c1-2-19-14(16-17-18-19)15-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H,15,16,18)
InChIKeyCZXWYMYHFOQNBY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.46
Rot. Bonds4

About 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine

1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine (PubChem CID 4727868) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine
PubChem CID4727868
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine
SMILESCCn1nnnc1NCc1cccc2ccccc12
InChIInChI=1S/C14H15N5/c1-2-19-14(16-17-18-19)15-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H,15,16,18)
InChIKeyCZXWYMYHFOQNBY-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine (CID 4727868) is 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine is CCn1nnnc1NCc1cccc2ccccc12.
What is the InChIKey of 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine?
The InChIKey is CZXWYMYHFOQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-19-14(16-17-18-19)15-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H,15,16,18).
What are the key properties of 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine?
1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(naphthalen-1-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 4727868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).