5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine

C9H16N6 — CID 165451599

IUPAC5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESCCn1nnnc1CC1=CC(N)CNC1
InChIInChI=1S/C9H16N6/c1-2-15-9(12-13-14-15)4-7-3-8(10)6-11-5-7/h3,8,11H,2,4-6,10H2,1H3
InChIKeyAGLPSBPTPFKYAY-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.91
Rot. Bonds3

About 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine

5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165451599) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165451599
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESCCn1nnnc1CC1=CC(N)CNC1
InChIInChI=1S/C9H16N6/c1-2-15-9(12-13-14-15)4-7-3-8(10)6-11-5-7/h3,8,11H,2,4-6,10H2,1H3
InChIKeyAGLPSBPTPFKYAY-UHFFFAOYSA-N
XLogP-0.91
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (CID 165451599) is 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is CCn1nnnc1CC1=CC(N)CNC1.
What is the InChIKey of 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is AGLPSBPTPFKYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-2-15-9(12-13-14-15)4-7-3-8(10)6-11-5-7/h3,8,11H,2,4-6,10H2,1H3.
What are the key properties of 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 208.27 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165451599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).