N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine

C9H12N6 — CID 142938828

IUPACN-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine
SMILESCC(Nc1nn[nH]n1)c1ccccc1N
InChIInChI=1S/C9H12N6/c1-6(11-9-12-14-15-13-9)7-4-2-3-5-8(7)10/h2-6H,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyVXPARRQOECVTPR-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.95
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine

N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine (PubChem CID 142938828) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine
PubChem CID142938828
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine
SMILESCC(Nc1nn[nH]n1)c1ccccc1N
InChIInChI=1S/C9H12N6/c1-6(11-9-12-14-15-13-9)7-4-2-3-5-8(7)10/h2-6H,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyVXPARRQOECVTPR-UHFFFAOYSA-N
XLogP0.95
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine (CID 142938828) is N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine is CC(Nc1nn[nH]n1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine?
The InChIKey is VXPARRQOECVTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-6(11-9-12-14-15-13-9)7-4-2-3-5-8(7)10/h2-6H,10H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine?
N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine has a molecular weight of 204.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 142938828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).