2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol

C14H24N4OS — CID 64805942

IUPAC2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H24N4OS/c1-9(7-14(2,15)8-19)20-13-17-16-12(10-3-4-10)18(13)11-5-6-11/h9-11,19H,3-8,15H2,1-2H3
InChIKeyKGSCCXORNYKGMV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds7

About 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol

2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol (PubChem CID 64805942) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol
PubChem CID64805942
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H24N4OS/c1-9(7-14(2,15)8-19)20-13-17-16-12(10-3-4-10)18(13)11-5-6-11/h9-11,19H,3-8,15H2,1-2H3
InChIKeyKGSCCXORNYKGMV-UHFFFAOYSA-N
XLogP2.07
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol with MolForge

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Related Compounds

N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine
CID 62579197
N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine
CID 62577916
(3R)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 51675581
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine
CID 64620089
3-amino-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-4-methoxybutan-1-ol
CID 114370067
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 17426824
methyl 3-amino-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 114242197
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide
CID 40721404
ethyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoate
CID 79004760
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine
CID 64619892
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
CID 40722490
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 33482061

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol (CID 64805942) is 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol is CC(CC(C)(N)CO)Sc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol?
The InChIKey is KGSCCXORNYKGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(7-14(2,15)8-19)20-13-17-16-12(10-3-4-10)18(13)11-5-6-11/h9-11,19H,3-8,15H2,1-2H3.
What are the key properties of 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol?
2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol has a molecular weight of 296.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol is sourced from PubChem (CID 64805942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).