3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

C14H23N7 — CID 58328667

IUPAC3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCNc1nnc2c(NCCCN3CCCCC3)nccn12
InChIInChI=1S/C14H23N7/c1-15-14-19-18-13-12(17-7-11-21(13)14)16-6-5-10-20-8-3-2-4-9-20/h7,11H,2-6,8-10H2,1H3,(H,15,19)(H,16,17)
InChIKeyFNKDGGXIDGDPQO-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.45
Rot. Bonds6

About 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 58328667) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID58328667
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCNc1nnc2c(NCCCN3CCCCC3)nccn12
InChIInChI=1S/C14H23N7/c1-15-14-19-18-13-12(17-7-11-21(13)14)16-6-5-10-20-8-3-2-4-9-20/h7,11H,2-6,8-10H2,1H3,(H,15,19)(H,16,17)
InChIKeyFNKDGGXIDGDPQO-UHFFFAOYSA-N
XLogP1.45
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 58328667) is 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is CNc1nnc2c(NCCCN3CCCCC3)nccn12.
What is the InChIKey of 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is FNKDGGXIDGDPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-15-14-19-18-13-12(17-7-11-21(13)14)16-6-5-10-20-8-3-2-4-9-20/h7,11H,2-6,8-10H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-8-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 58328667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).