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

C11H12N6O — CID 64576833

IUPAC(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESNc1cc(C(=O)N2CCn3cnnc3C2)ccn1
InChIInChI=1S/C11H12N6O/c12-9-5-8(1-2-13-9)11(18)16-3-4-17-7-14-15-10(17)6-16/h1-2,5,7H,3-4,6H2,(H2,12,13)
InChIKeyJCEAPWBWGHKYTQ-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.09
Rot. Bonds1

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

(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 64576833) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID64576833
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESNc1cc(C(=O)N2CCn3cnnc3C2)ccn1
InChIInChI=1S/C11H12N6O/c12-9-5-8(1-2-13-9)11(18)16-3-4-17-7-14-15-10(17)6-16/h1-2,5,7H,3-4,6H2,(H2,12,13)
InChIKeyJCEAPWBWGHKYTQ-UHFFFAOYSA-N
XLogP-0.09
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583723
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
(2-amino-5-hydroxyphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 107075438
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
CID 64575489
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574911
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-dihydroindol-2-one
CID 102712456
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(ethylamino)-2-pyridinyl]methanone
CID 64576261
(4-amino-1H-pyrazol-5-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583911
1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
CID 167885756
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-sulfanylphenyl)methanone
CID 107030887
(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 81233345
(4-amino-1-methylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 65355444

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 64576833) is (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Nc1cc(C(=O)N2CCn3cnnc3C2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is JCEAPWBWGHKYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-9-5-8(1-2-13-9)11(18)16-3-4-17-7-14-15-10(17)6-16/h1-2,5,7H,3-4,6H2,(H2,12,13).
What are the key properties of (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 244.26 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 64576833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).