(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

C16H30N4 — CID 105392121

IUPAC(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCCCCCCCCCc1nnc2n1CC(CN)CC2
InChIInChI=1S/C16H30N4/c1-2-3-4-5-6-7-8-9-15-18-19-16-11-10-14(12-17)13-20(15)16/h14H,2-13,17H2,1H3
InChIKeyASQBDKIUYSNLNC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.09
Rot. Bonds9

About (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (PubChem CID 105392121) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound Name(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
PubChem CID105392121
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCCCCCCCCCc1nnc2n1CC(CN)CC2
InChIInChI=1S/C16H30N4/c1-2-3-4-5-6-7-8-9-15-18-19-16-11-10-14(12-17)13-20(15)16/h14H,2-13,17H2,1H3
InChIKeyASQBDKIUYSNLNC-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The IUPAC name of (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (CID 105392121) is (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.
What is the SMILES notation for (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The canonical SMILES for (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is CCCCCCCCCc1nnc2n1CC(CN)CC2.
What is the InChIKey of (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The InChIKey is ASQBDKIUYSNLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-2-3-4-5-6-7-8-9-15-18-19-16-11-10-14(12-17)13-20(15)16/h14H,2-13,17H2,1H3.
What are the key properties of (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine has a molecular weight of 278.44 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 105392121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).