(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone

C11H7N5OS — CID 105131202

IUPAC(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)c1cnnn1-c1ccccc1
InChIInChI=1S/C11H7N5OS/c17-11(9-6-13-18-14-9)10-7-12-15-16(10)8-4-2-1-3-5-8/h1-7H
InChIKeyVQQMSGZWTLRKHQ-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.35
Rot. Bonds3

About (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone

(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 105131202) has the molecular formula C11H7N5OS and a molecular weight of 257.28 g/mol. Its IUPAC name is (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID105131202
Molecular FormulaC11H7N5OS
Molecular Weight257.28 g/mol
Exact Mass257.04
IUPAC Name(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)c1cnnn1-c1ccccc1
InChIInChI=1S/C11H7N5OS/c17-11(9-6-13-18-14-9)10-7-12-15-16(10)8-4-2-1-3-5-8/h1-7H
InChIKeyVQQMSGZWTLRKHQ-UHFFFAOYSA-N
XLogP1.35
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(6-methyl-2-pyridinyl)-(3-phenyltriazol-4-yl)methanone
CID 114685792
(5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanone
CID 115806451
(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 107977415
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
(5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanone
CID 105131212
(1-aminocyclopropyl)-(3-phenyltriazol-4-yl)methanone
CID 114692058
(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685541
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(3-fluoro-5-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114686118
(3-amino-4-chlorophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691830

Frequently Asked Questions

What is the IUPAC name of (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 105131202) is (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)c1cnnn1-c1ccccc1.
What is the InChIKey of (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is VQQMSGZWTLRKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5OS/c17-11(9-6-13-18-14-9)10-7-12-15-16(10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 257.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyltriazol-4-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 105131202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).