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

C15H21N5 — CID 64579290

IUPAC1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCn2cnnc2C1
InChIInChI=1S/C15H21N5/c1-2-13(16)9-12-5-3-4-6-14(12)19-7-8-20-11-17-18-15(20)10-19/h3-6,11,13H,2,7-10,16H2,1H3
InChIKeyRWWJPCJQVIONMM-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.58
Rot. Bonds4

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

1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine (PubChem CID 64579290) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine
PubChem CID64579290
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCn2cnnc2C1
InChIInChI=1S/C15H21N5/c1-2-13(16)9-12-5-3-4-6-14(12)19-7-8-20-11-17-18-15(20)10-19/h3-6,11,13H,2,7-10,16H2,1H3
InChIKeyRWWJPCJQVIONMM-UHFFFAOYSA-N
XLogP1.58
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine with MolForge

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Related Compounds

Dapiprazole
CID 3033538
Dapiprazole Hydrochloride
CID 6917787
3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 2998993
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 22493225
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343
2-(2-butyl-1,2,4-triazol-3-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493367
(3R,4S)-4-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-1-[(2-fluoro-6-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 137632104
2-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 853537
2-ethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 7177821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine (CID 64579290) is 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine is CCC(N)Cc1ccccc1N1CCn2cnnc2C1.
What is the InChIKey of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine?
The InChIKey is RWWJPCJQVIONMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-13(16)9-12-5-3-4-6-14(12)19-7-8-20-11-17-18-15(20)10-19/h3-6,11,13H,2,7-10,16H2,1H3.
What are the key properties of 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine?
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine has a molecular weight of 271.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine is sourced from PubChem (CID 64579290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).