3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine

C8H14N8S — CID 13361088

IUPAC3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2nnc(CC)n2N)n1N
InChIInChI=1S/C8H14N8S/c1-3-5-11-13-7(15(5)9)17-8-14-12-6(4-2)16(8)10/h3-4,9-10H2,1-2H3
InChIKeyGRXFGRWVPSAQPQ-UHFFFAOYSA-N
MW254.32 g/mol
LogP-0.43
Rot. Bonds4

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

3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine (PubChem CID 13361088) has the molecular formula C8H14N8S and a molecular weight of 254.32 g/mol. Its IUPAC name is 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine
PubChem CID13361088
Molecular FormulaC8H14N8S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2nnc(CC)n2N)n1N
InChIInChI=1S/C8H14N8S/c1-3-5-11-13-7(15(5)9)17-8-14-12-6(4-2)16(8)10/h3-4,9-10H2,1-2H3
InChIKeyGRXFGRWVPSAQPQ-UHFFFAOYSA-N
XLogP-0.43
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
CID 133443657
3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
CID 56772700
3-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
CID 133369430
3-ethyl-5-[(6-methyl-5-nitro-2-pyridinyl)sulfanyl]-1,2,4-triazol-4-amine
CID 133369452
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 40546851
3-(4-chloro-2-nitrophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
CID 56772720
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
CID 133369427
3-ethyl-5-(2-methoxy-4-nitrophenyl)sulfanyl-1,2,4-triazol-4-amine
CID 56772699
4-amino-5-ethyl-1,2,4-triazole-3-carbothialdehyde
CID 174921907
3-[(4-amino-2-bromophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
CID 95910906
3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133369354
ethyl 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
CID 56772747

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine (CID 13361088) is 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine is CCc1nnc(Sc2nnc(CC)n2N)n1N.
What is the InChIKey of 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The InChIKey is GRXFGRWVPSAQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N8S/c1-3-5-11-13-7(15(5)9)17-8-14-12-6(4-2)16(8)10/h3-4,9-10H2,1-2H3.
What are the key properties of 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine has a molecular weight of 254.32 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 13361088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).