1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine

C10H20N4S — CID 66229898

IUPAC1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine
SMILESCCCn1ncnc1CSCC(N)CC
InChIInChI=1S/C10H20N4S/c1-3-5-14-10(12-8-13-14)7-15-6-9(11)4-2/h8-9H,3-7,11H2,1-2H3
InChIKeyALCKWLBLZOXSKJ-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.66
Rot. Bonds7

About 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine

1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine (PubChem CID 66229898) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine
PubChem CID66229898
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine
SMILESCCCn1ncnc1CSCC(N)CC
InChIInChI=1S/C10H20N4S/c1-3-5-14-10(12-8-13-14)7-15-6-9(11)4-2/h8-9H,3-7,11H2,1-2H3
InChIKeyALCKWLBLZOXSKJ-UHFFFAOYSA-N
XLogP1.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]propanoic acid
CID 107773596
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
1-[(1-butyltetrazol-5-yl)methylsulfanyl]butan-2-amine
CID 66231533
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105162643
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
1-[(1-methylpyrazol-4-yl)methylsulfanyl]butan-2-amine
CID 66231493
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79045251
1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105162518
4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine?
The IUPAC name of 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine (CID 66229898) is 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine.
What is the SMILES notation for 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine?
The canonical SMILES for 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine is CCCn1ncnc1CSCC(N)CC.
What is the InChIKey of 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine?
The InChIKey is ALCKWLBLZOXSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-3-5-14-10(12-8-13-14)7-15-6-9(11)4-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine?
1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-amine is sourced from PubChem (CID 66229898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).