6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C12H14BrN5 — CID 63625010

IUPAC6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCc1nn[nH]n1)C2
InChIInChI=1S/C12H14BrN5/c13-10-3-1-9-6-11(4-2-8(9)5-10)14-7-12-15-17-18-16-12/h1,3,5,11,14H,2,4,6-7H2,(H,15,16,17,18)
InChIKeyMFPWNXIDTXKURV-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.61
Rot. Bonds3

About 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625010) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625010
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc2c(c1)CCC(NCc1nn[nH]n1)C2
InChIInChI=1S/C12H14BrN5/c13-10-3-1-9-6-11(4-2-8(9)5-10)14-7-12-15-17-18-16-12/h1,3,5,11,14H,2,4,6-7H2,(H,15,16,17,18)
InChIKeyMFPWNXIDTXKURV-UHFFFAOYSA-N
XLogP1.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625010) is 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1ccc2c(c1)CCC(NCc1nn[nH]n1)C2.
What is the InChIKey of 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MFPWNXIDTXKURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c13-10-3-1-9-6-11(4-2-8(9)5-10)14-7-12-15-17-18-16-12/h1,3,5,11,14H,2,4,6-7H2,(H,15,16,17,18).
What are the key properties of 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 308.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).