1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine

C10H14N4OS — CID 170889850

IUPAC1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ncn[nH]2)o1
InChIInChI=1S/C10H14N4OS/c1-2-7(11)5-8-3-4-9(15-8)16-10-12-6-13-14-10/h3-4,6-7H,2,5,11H2,1H3,(H,12,13,14)
InChIKeyHCIMSHHDBBSUIR-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.83
Rot. Bonds5

About 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine

1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine (PubChem CID 170889850) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine
PubChem CID170889850
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ncn[nH]2)o1
InChIInChI=1S/C10H14N4OS/c1-2-7(11)5-8-3-4-9(15-8)16-10-12-6-13-14-10/h3-4,6-7H,2,5,11H2,1H3,(H,12,13,14)
InChIKeyHCIMSHHDBBSUIR-UHFFFAOYSA-N
XLogP1.83
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butan-2-amine
CID 114062123
1-[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819439
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938082
[5-(2-aminobutyl)furan-2-yl]methanol
CID 170888411
(3R)-3-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211302
5-(2-aminobutyl)-N,N-dimethylfuran-2-amine
CID 170889541
2-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide
CID 43712450
N-propyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propan-1-amine
CID 112678548
1H-1,2,4-triazol-5-ylsulfanylmethanamine
CID 67903702
1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
CID 170889125
propyl 5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate
CID 56772848
2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine
CID 43262668

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine?
The IUPAC name of 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine (CID 170889850) is 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine?
The canonical SMILES for 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine is CCC(N)Cc1ccc(Sc2ncn[nH]2)o1.
What is the InChIKey of 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine?
The InChIKey is HCIMSHHDBBSUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-2-7(11)5-8-3-4-9(15-8)16-10-12-6-13-14-10/h3-4,6-7H,2,5,11H2,1H3,(H,12,13,14).
What are the key properties of 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine?
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine has a molecular weight of 238.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]butan-2-amine is sourced from PubChem (CID 170889850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).