1-butyl-N-naphthalen-1-yltetrazol-5-amine

C15H17N5 — CID 165418883

IUPAC1-butyl-N-naphthalen-1-yltetrazol-5-amine
SMILESCCCCn1nnnc1Nc1cccc2ccccc12
InChIInChI=1S/C15H17N5/c1-2-3-11-20-15(17-18-19-20)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H,16,17,19)
InChIKeyONEKZFDKFIPNSN-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.37
Rot. Bonds5

About 1-butyl-N-naphthalen-1-yltetrazol-5-amine

1-butyl-N-naphthalen-1-yltetrazol-5-amine (PubChem CID 165418883) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-butyl-N-naphthalen-1-yltetrazol-5-amine.

Molecular Properties

Compound Name1-butyl-N-naphthalen-1-yltetrazol-5-amine
PubChem CID165418883
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-butyl-N-naphthalen-1-yltetrazol-5-amine
SMILESCCCCn1nnnc1Nc1cccc2ccccc12
InChIInChI=1S/C15H17N5/c1-2-3-11-20-15(17-18-19-20)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H,16,17,19)
InChIKeyONEKZFDKFIPNSN-UHFFFAOYSA-N
XLogP3.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-naphthalen-1-yltetrazol-5-amine?
The IUPAC name of 1-butyl-N-naphthalen-1-yltetrazol-5-amine (CID 165418883) is 1-butyl-N-naphthalen-1-yltetrazol-5-amine.
What is the SMILES notation for 1-butyl-N-naphthalen-1-yltetrazol-5-amine?
The canonical SMILES for 1-butyl-N-naphthalen-1-yltetrazol-5-amine is CCCCn1nnnc1Nc1cccc2ccccc12.
What is the InChIKey of 1-butyl-N-naphthalen-1-yltetrazol-5-amine?
The InChIKey is ONEKZFDKFIPNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-3-11-20-15(17-18-19-20)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H,16,17,19).
What are the key properties of 1-butyl-N-naphthalen-1-yltetrazol-5-amine?
1-butyl-N-naphthalen-1-yltetrazol-5-amine has a molecular weight of 267.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-naphthalen-1-yltetrazol-5-amine is sourced from PubChem (CID 165418883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).