CID 174069736

C16H12BF2N5OS — CID 174069736

IUPAC—
SMILES[B]c1cc(C(=O)N2CCn3c(nnc3-c3nc(C)c(F)s3)C2)ccc1F
InChIInChI=1S/C16H12BF2N5OS/c1-8-13(19)26-15(20-8)14-22-21-12-7-23(4-5-24(12)14)16(25)9-2-3-11(18)10(17)6-9/h2-3,6H,4-5,7H2,1H3
InChIKeyQGDCNMWVHQNDEJ-UHFFFAOYSA-N
MW371.18 g/mol
LogP1.44
Rot. Bonds2

About CID 174069736

CID 174069736 (PubChem CID 174069736) has the molecular formula C16H12BF2N5OS and a molecular weight of 371.18 g/mol.

Molecular Properties

Compound NameCID 174069736
PubChem CID174069736
Molecular FormulaC16H12BF2N5OS
Molecular Weight371.18 g/mol
Exact Mass371.08
IUPAC Name—
SMILES[B]c1cc(C(=O)N2CCn3c(nnc3-c3nc(C)c(F)s3)C2)ccc1F
InChIInChI=1S/C16H12BF2N5OS/c1-8-13(19)26-15(20-8)14-22-21-12-7-23(4-5-24(12)14)16(25)9-2-3-11(18)10(17)6-9/h2-3,6H,4-5,7H2,1H3
InChIKeyQGDCNMWVHQNDEJ-UHFFFAOYSA-N
XLogP1.44
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylphenyl)methanone
CID 134787718
(3-fluorophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53015177
1,3-benzodioxol-5-yl-[3-(4-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134790980
CID 174069695
CID 174069695
N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
CID 134803473
(2,3-dimethyl-1H-indol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956763
(2,3-dichloro-4-fluorophenyl)-[3-(1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599055
(4-bromo-3-fluorophenyl)-[3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 119042134
(2-chloro-4-fluorophenyl)-[3-(3,4-difluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66599470
N-[4-[7-(4-methoxybenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
CID 134801583
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one
CID 71918501
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-thiophen-3-ylmethanone
CID 53193528

Frequently Asked Questions

What is the IUPAC name of CID 174069736?
The IUPAC name of CID 174069736 (CID 174069736) is not available.
What is the SMILES notation for CID 174069736?
The canonical SMILES for CID 174069736 is [B]c1cc(C(=O)N2CCn3c(nnc3-c3nc(C)c(F)s3)C2)ccc1F.
What is the InChIKey of CID 174069736?
The InChIKey is QGDCNMWVHQNDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BF2N5OS/c1-8-13(19)26-15(20-8)14-22-21-12-7-23(4-5-24(12)14)16(25)9-2-3-11(18)10(17)6-9/h2-3,6H,4-5,7H2,1H3.
What are the key properties of CID 174069736?
CID 174069736 has a molecular weight of 371.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174069736 is sourced from PubChem (CID 174069736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).