N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine

C11H16N6 — CID 130589983

IUPACN'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1nn[nH]n1
InChIInChI=1S/C11H16N6/c12-6-7-17(9-11-13-15-16-14-11)8-10-4-2-1-3-5-10/h1-5H,6-9,12H2,(H,13,14,15,16)
InChIKeyUUOIFRHZNBQSJH-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.16
Rot. Bonds6

About N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine

N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 130589983) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID130589983
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1nn[nH]n1
InChIInChI=1S/C11H16N6/c12-6-7-17(9-11-13-15-16-14-11)8-10-4-2-1-3-5-10/h1-5H,6-9,12H2,(H,13,14,15,16)
InChIKeyUUOIFRHZNBQSJH-UHFFFAOYSA-N
XLogP0.16
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine (CID 130589983) is N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine is NCCN(Cc1ccccc1)Cc1nn[nH]n1.
What is the InChIKey of N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is UUOIFRHZNBQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-6-7-17(9-11-13-15-16-14-11)8-10-4-2-1-3-5-10/h1-5H,6-9,12H2,(H,13,14,15,16).
What are the key properties of N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine?
N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 232.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 130589983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).