2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C16H17N7O — CID 97390302

IUPAC2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C16H17N7O/c24-16(7-13-3-1-2-4-18-13)22-6-5-21-8-14(20-15(21)10-22)9-23-12-17-11-19-23/h1-4,8,11-12H,5-7,9-10H2
InChIKeyXGGJDHVNNAKJLC-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.50
Rot. Bonds4

About 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 97390302) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID97390302
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C16H17N7O/c24-16(7-13-3-1-2-4-18-13)22-6-5-21-8-14(20-15(21)10-22)9-23-12-17-11-19-23/h1-4,8,11-12H,5-7,9-10H2
InChIKeyXGGJDHVNNAKJLC-UHFFFAOYSA-N
XLogP0.50
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 97390302) is 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is O=C(Cc1ccccn1)N1CCn2cc(Cn3cncn3)nc2C1.
What is the InChIKey of 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is XGGJDHVNNAKJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c24-16(7-13-3-1-2-4-18-13)22-6-5-21-8-14(20-15(21)10-22)9-23-12-17-11-19-23/h1-4,8,11-12H,5-7,9-10H2.
What are the key properties of 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 323.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 97390302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).