5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C14H19N5 — CID 107046583

IUPAC5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCn1nnc(CC2(N)CCCCc3ccccc32)n1
InChIInChI=1S/C14H19N5/c1-19-17-13(16-18-19)10-14(15)9-5-4-7-11-6-2-3-8-12(11)14/h2-3,6,8H,4-5,7,9-10,15H2,1H3
InChIKeyRKBLJIRNYYVRAM-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.33
Rot. Bonds2

About 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 107046583) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID107046583
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCn1nnc(CC2(N)CCCCc3ccccc32)n1
InChIInChI=1S/C14H19N5/c1-19-17-13(16-18-19)10-14(15)9-5-4-7-11-6-2-3-8-12(11)14/h2-3,6,8H,4-5,7,9-10,15H2,1H3
InChIKeyRKBLJIRNYYVRAM-UHFFFAOYSA-N
XLogP1.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 107046583) is 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is Cn1nnc(CC2(N)CCCCc3ccccc32)n1.
What is the InChIKey of 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is RKBLJIRNYYVRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-19-17-13(16-18-19)10-14(15)9-5-4-7-11-6-2-3-8-12(11)14/h2-3,6,8H,4-5,7,9-10,15H2,1H3.
What are the key properties of 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 257.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyltetrazol-5-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 107046583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).