N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine

C12H18N4OS — CID 170867227

IUPACN,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine
SMILESCN(C)CCCc1ccc(Sc2nncn2C)o1
InChIInChI=1S/C12H18N4OS/c1-15(2)8-4-5-10-6-7-11(17-10)18-12-14-13-9-16(12)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyVXARAVOFIVYTNO-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.05
Rot. Bonds6

About N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine

N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine (PubChem CID 170867227) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine
PubChem CID170867227
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine
SMILESCN(C)CCCc1ccc(Sc2nncn2C)o1
InChIInChI=1S/C12H18N4OS/c1-15(2)8-4-5-10-6-7-11(17-10)18-12-14-13-9-16(12)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyVXARAVOFIVYTNO-UHFFFAOYSA-N
XLogP2.05
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]butan-1-amine
CID 46982555
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
CID 104651883
(3R,4R)-4-[ethyl-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]amino]-1,1-dioxothiolan-3-ol
CID 46998402
N,N-dimethyl-3-(5-propylfuran-2-yl)propan-1-amine
CID 170867226
(2R)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42164472
(2R)-1-(dimethylamino)-2-[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-2-ol
CID 42361802
3-(5-iodofuran-2-yl)-N,N-dimethylpropan-1-amine
CID 170867289
1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine
CID 131909236
1-[(2-fluorophenyl)methyl]-N-methyl-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperidin-3-amine
CID 45201374
[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 131947620
3-[5-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 95129613
(5S)-2-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2,9-diazaspiro[4.5]decane
CID 95210209

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine (CID 170867227) is N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine is CN(C)CCCc1ccc(Sc2nncn2C)o1.
What is the InChIKey of N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine?
The InChIKey is VXARAVOFIVYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-15(2)8-4-5-10-6-7-11(17-10)18-12-14-13-9-16(12)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine?
N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine is sourced from PubChem (CID 170867227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).