2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine

C13H18N6 — CID 64580821

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1cncc(CNCCN2CCn3cnnc3C2)c1
InChIInChI=1S/C13H18N6/c1-2-12(8-14-3-1)9-15-4-5-18-6-7-19-11-16-17-13(19)10-18/h1-3,8,11,15H,4-7,9-10H2
InChIKeyBDUAUMQKJMTYQH-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.28
Rot. Bonds5

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 64580821) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID64580821
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1cncc(CNCCN2CCn3cnnc3C2)c1
InChIInChI=1S/C13H18N6/c1-2-12(8-14-3-1)9-15-4-5-18-6-7-19-11-16-17-13(19)10-18/h1-3,8,11,15H,4-7,9-10H2
InChIKeyBDUAUMQKJMTYQH-UHFFFAOYSA-N
XLogP0.28
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
N-(cyclopropylmethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 64577734
4-[4-[2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]aniline
CID 172594310
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
CID 64576410
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylpentan-1-amine
CID 64579271
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 102968328
N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine
CID 64577174
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 64580821) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine is c1cncc(CNCCN2CCn3cnnc3C2)c1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is BDUAUMQKJMTYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-12(8-14-3-1)9-15-4-5-18-6-7-19-11-16-17-13(19)10-18/h1-3,8,11,15H,4-7,9-10H2.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 258.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 64580821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).