(6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

C17H24N6O — CID 164692446

IUPAC(6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESCC(C)CCc1nc2n(n1)CCN(C(=O)c1cccc(N)n1)[C@@H]2C
InChIInChI=1S/C17H24N6O/c1-11(2)7-8-15-20-16-12(3)22(9-10-23(16)21-15)17(24)13-5-4-6-14(18)19-13/h4-6,11-12H,7-10H2,1-3H3,(H2,18,19)/t12-/m1/s1
InChIKeyJFYBOEKPMGMUNO-GFCCVEGCSA-N
MW328.42 g/mol
LogP2.06
Rot. Bonds4

About (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

(6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164692446) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
PubChem CID164692446
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESCC(C)CCc1nc2n(n1)CCN(C(=O)c1cccc(N)n1)[C@@H]2C
InChIInChI=1S/C17H24N6O/c1-11(2)7-8-15-20-16-12(3)22(9-10-23(16)21-15)17(24)13-5-4-6-14(18)19-13/h4-6,11-12H,7-10H2,1-3H3,(H2,18,19)/t12-/m1/s1
InChIKeyJFYBOEKPMGMUNO-GFCCVEGCSA-N
XLogP2.06
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 164688071
1-[3-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-oxopropyl]azepan-2-one
CID 164692128
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62238786
(6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone
CID 94400305
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119999097
6-amino-N-cyclopropyl-N-(3-methylbutyl)pyridine-2-carboxamide;hydrochloride
CID 119999003
(5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164692660
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
CID 94908396

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164692446) is (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is CC(C)CCc1nc2n(n1)CCN(C(=O)c1cccc(N)n1)[C@@H]2C.
What is the InChIKey of (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is JFYBOEKPMGMUNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11(2)7-8-15-20-16-12(3)22(9-10-23(16)21-15)17(24)13-5-4-6-14(18)19-13/h4-6,11-12H,7-10H2,1-3H3,(H2,18,19)/t12-/m1/s1.
What are the key properties of (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
(6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164692446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).