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

C14H14ClN5O — CID 134795555

IUPAC(6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C14H14ClN5O/c15-11-4-3-10(7-16-11)14(21)19-5-6-20-12(8-19)17-18-13(20)9-1-2-9/h3-4,7,9H,1-2,5-6,8H2
InChIKeySTGVDFSXHMPGOR-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.86
Rot. Bonds2

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

(6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 134795555) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID134795555
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name(6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C14H14ClN5O/c15-11-4-3-10(7-16-11)14(21)19-5-6-20-12(8-19)17-18-13(20)9-1-2-9/h3-4,7,9H,1-2,5-6,8H2
InChIKeySTGVDFSXHMPGOR-UHFFFAOYSA-N
XLogP1.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 134795555) is (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is O=C(c1ccc(Cl)nc1)N1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is STGVDFSXHMPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c15-11-4-3-10(7-16-11)14(21)19-5-6-20-12(8-19)17-18-13(20)9-1-2-9/h3-4,7,9H,1-2,5-6,8H2.
What are the key properties of (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 303.75 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 134795555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).