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

C8H14N6 — CID 165458390

IUPAC5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESCn1nnnc1CC1=CC(N)CNC1
InChIInChI=1S/C8H14N6/c1-14-8(11-12-13-14)3-6-2-7(9)5-10-4-6/h2,7,10H,3-5,9H2,1H3
InChIKeyRQTVPSIDVAIJMU-UHFFFAOYSA-N
MW194.24 g/mol
LogP-1.39
Rot. Bonds2

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

5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165458390) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165458390
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESCn1nnnc1CC1=CC(N)CNC1
InChIInChI=1S/C8H14N6/c1-14-8(11-12-13-14)3-6-2-7(9)5-10-4-6/h2,7,10H,3-5,9H2,1H3
InChIKeyRQTVPSIDVAIJMU-UHFFFAOYSA-N
XLogP-1.39
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-1.39
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-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (CID 165458390) is 5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is Cn1nnnc1CC1=CC(N)CNC1.
What is the InChIKey of 5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is RQTVPSIDVAIJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-14-8(11-12-13-14)3-6-2-7(9)5-10-4-6/h2,7,10H,3-5,9H2,1H3.
What are the key properties of 5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 194.24 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyltetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165458390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).