3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine

C16H18N6OS — CID 133472602

IUPAC3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine
SMILESCc1nc2c(c(Sc3nnc(-c4ccoc4C)n3N)n1)CCCC2
InChIInChI=1S/C16H18N6OS/c1-9-11(7-8-23-9)14-20-21-16(22(14)17)24-15-12-5-3-4-6-13(12)18-10(2)19-15/h7-8H,3-6,17H2,1-2H3
InChIKeyTXJDBQXXWFHPLT-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.69
Rot. Bonds3

About 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine

3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine (PubChem CID 133472602) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine
PubChem CID133472602
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine
SMILESCc1nc2c(c(Sc3nnc(-c4ccoc4C)n3N)n1)CCCC2
InChIInChI=1S/C16H18N6OS/c1-9-11(7-8-23-9)14-20-21-16(22(14)17)24-15-12-5-3-4-6-13(12)18-10(2)19-15/h7-8H,3-6,17H2,1-2H3
InChIKeyTXJDBQXXWFHPLT-UHFFFAOYSA-N
XLogP2.69
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile
CID 133374396
3-(2-methylfuran-3-yl)-5-(4-methylpyrimidin-2-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374393
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 133374433
3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 133374447
1-[2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35360844
2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113453444
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 133374454
3-(2-methylfuran-3-yl)-5-(3-methyl-4-nitrophenyl)sulfanyl-1,2,4-triazol-4-amine
CID 133443770
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133374442
2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136829190
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile
CID 133374468
3-(2-methylfuran-3-yl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 30861750

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine (CID 133472602) is 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine is Cc1nc2c(c(Sc3nnc(-c4ccoc4C)n3N)n1)CCCC2.
What is the InChIKey of 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is TXJDBQXXWFHPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-9-11(7-8-23-9)14-20-21-16(22(14)17)24-15-12-5-3-4-6-13(12)18-10(2)19-15/h7-8H,3-6,17H2,1-2H3.
What are the key properties of 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine?
3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 342.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 133472602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).