N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine

C14H20N6 — CID 64579260

IUPACN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C14H20N6/c1-11(2)15-8-12-4-3-5-13(17-12)19-6-7-20-10-16-18-14(20)9-19/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyJFPXIKXUIDHSSP-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.19
Rot. Bonds4

About N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine

N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 64579260) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID64579260
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C14H20N6/c1-11(2)15-8-12-4-3-5-13(17-12)19-6-7-20-10-16-18-14(20)9-19/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyJFPXIKXUIDHSSP-UHFFFAOYSA-N
XLogP1.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine (CID 64579260) is N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(N2CCn3cnnc3C2)n1.
What is the InChIKey of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is JFPXIKXUIDHSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11(2)15-8-12-4-3-5-13(17-12)19-6-7-20-10-16-18-14(20)9-19/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 272.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 64579260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).