2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide

C13H25N5OS — CID 63095764

IUPAC2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Sc1nnc(N)n1C(C)C
InChIInChI=1S/C13H25N5OS/c1-8(2)6-7-15-11(19)10(5)20-13-17-16-12(14)18(13)9(3)4/h8-10H,6-7H2,1-5H3,(H2,14,16)(H,15,19)
InChIKeyYXUGEWPKZCGQQS-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.08
Rot. Bonds7

About 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide

2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide (PubChem CID 63095764) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide
PubChem CID63095764
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC Name2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Sc1nnc(N)n1C(C)C
InChIInChI=1S/C13H25N5OS/c1-8(2)6-7-15-11(19)10(5)20-13-17-16-12(14)18(13)9(3)4/h8-10H,6-7H2,1-5H3,(H2,14,16)(H,15,19)
InChIKeyYXUGEWPKZCGQQS-UHFFFAOYSA-N
XLogP2.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide with MolForge

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Related Compounds

2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
CID 63097173
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylbutyl)propanamide
CID 43112283
2-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)propanamide
CID 63313656
ethyl 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate
CID 64662167
2-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylpropanamide
CID 63313297
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 43303746
3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide
CID 63095245
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 60732683
2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 63090802
5-[2-(methylamino)ethylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63095774
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-(3-aminophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79133388

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide (CID 63095764) is 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Sc1nnc(N)n1C(C)C.
What is the InChIKey of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide?
The InChIKey is YXUGEWPKZCGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-8(2)6-7-15-11(19)10(5)20-13-17-16-12(14)18(13)9(3)4/h8-10H,6-7H2,1-5H3,(H2,14,16)(H,15,19).
What are the key properties of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide?
2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide has a molecular weight of 299.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 63095764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).