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

C10H19N5 — CID 64576410

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCn2cnnc2C1
InChIInChI=1S/C10H19N5/c1-11-4-2-3-5-14-6-7-15-9-12-13-10(15)8-14/h9,11H,2-8H2,1H3
InChIKeyRLNLIJBZCMGTEN-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.09
Rot. Bonds5

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

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine (PubChem CID 64576410) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
PubChem CID64576410
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCn2cnnc2C1
InChIInChI=1S/C10H19N5/c1-11-4-2-3-5-14-6-7-15-9-12-13-10(15)8-14/h9,11H,2-8H2,1H3
InChIKeyRLNLIJBZCMGTEN-UHFFFAOYSA-N
XLogP0.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylpentan-1-amine
CID 64579271
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64579080
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine
CID 64575350
7-(5-chloropentyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64578046
N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine
CID 64577174
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methoxyethyl)propan-1-amine
CID 64576117
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine
CID 64580628
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline
CID 64580438
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile
CID 64578836
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(methylamino)propan-2-ol
CID 64576094
N-(cyclopropylmethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 64577734

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine (CID 64576410) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine is CNCCCCN1CCn2cnnc2C1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine?
The InChIKey is RLNLIJBZCMGTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-11-4-2-3-5-14-6-7-15-9-12-13-10(15)8-14/h9,11H,2-8H2,1H3.
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine has a molecular weight of 209.30 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 64576410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).