3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

C13H14N6OS — CID 80882976

IUPAC3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCNc1nc(Sc2n[nH]c(=O)n2C)c2ccccc2n1
InChIInChI=1S/C13H14N6OS/c1-3-14-11-15-9-7-5-4-6-8(9)10(16-11)21-13-18-17-12(20)19(13)2/h4-7H,3H2,1-2H3,(H,17,20)(H,14,15,16)
InChIKeyHFPXSHZKBXCNHK-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.63
Rot. Bonds4

About 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 80882976) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID80882976
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCNc1nc(Sc2n[nH]c(=O)n2C)c2ccccc2n1
InChIInChI=1S/C13H14N6OS/c1-3-14-11-15-9-7-5-4-6-8(9)10(16-11)21-13-18-17-12(20)19(13)2/h4-7H,3H2,1-2H3,(H,17,20)(H,14,15,16)
InChIKeyHFPXSHZKBXCNHK-UHFFFAOYSA-N
XLogP1.63
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 103334802
N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine
CID 80887083
N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
CID 80869962
3-(2-aminoquinazolin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 80883153
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine
CID 80887617
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
CID 80883177
N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine
CID 80873489
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
3-[[6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892539
3-[3-(hydroxymethyl)quinolin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835072
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102761476
3-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114566815

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one (CID 80882976) is 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is CCNc1nc(Sc2n[nH]c(=O)n2C)c2ccccc2n1.
What is the InChIKey of 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is HFPXSHZKBXCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-3-14-11-15-9-7-5-4-6-8(9)10(16-11)21-13-18-17-12(20)19(13)2/h4-7H,3H2,1-2H3,(H,17,20)(H,14,15,16).
What are the key properties of 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one?
3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 302.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 80882976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).