1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine

C14H24N4S — CID 64620089

IUPAC1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H24N4S/c1-14(2,3)11(15)8-19-13-17-16-12(9-4-5-9)18(13)10-6-7-10/h9-11H,4-8,15H2,1-3H3
InChIKeyDJRRVYOQOOPKLJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.96
Rot. Bonds5

About 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine

1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine (PubChem CID 64620089) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine
PubChem CID64620089
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)CSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H24N4S/c1-14(2,3)11(15)8-19-13-17-16-12(9-4-5-9)18(13)10-6-7-10/h9-11H,4-8,15H2,1-3H3
InChIKeyDJRRVYOQOOPKLJ-UHFFFAOYSA-N
XLogP2.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine
CID 64619892
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-2-amine
CID 64619312
N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3,3-dimethylbutan-1-amine
CID 62577706
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 43343270
3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethoxypropanoic acid
CID 63099437
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 8971160
methyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17483257
2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol
CID 64805942
2-[[5-cyclopropyl-4-(4-ethylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61470083
ethyl N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate
CID 9379063
2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine
CID 79576666
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-(ethylamino)butanoic acid
CID 63035182

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine (CID 64620089) is 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)CSc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine?
The InChIKey is DJRRVYOQOOPKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-14(2,3)11(15)8-19-13-17-16-12(9-4-5-9)18(13)10-6-7-10/h9-11H,4-8,15H2,1-3H3.
What are the key properties of 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine?
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine has a molecular weight of 280.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64620089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).