N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine

C9H10N10S — CID 80884418

IUPACN-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Sc2ncn[nH]2)nc(-n2cncn2)n1
InChIInChI=1S/C9H10N10S/c1-2-11-6-15-7(19-5-10-3-14-19)17-9(16-6)20-8-12-4-13-18-8/h3-5H,2H2,1H3,(H,12,13,18)(H,11,15,16,17)
InChIKeyDUHZCWVRXINMPW-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.15
Rot. Bonds5

About N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine

N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80884418) has the molecular formula C9H10N10S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80884418
Molecular FormulaC9H10N10S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC NameN-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Sc2ncn[nH]2)nc(-n2cncn2)n1
InChIInChI=1S/C9H10N10S/c1-2-11-6-15-7(19-5-10-3-14-19)17-9(16-6)20-8-12-4-13-18-8/h3-5H,2H2,1H3,(H,12,13,18)(H,11,15,16,17)
InChIKeyDUHZCWVRXINMPW-UHFFFAOYSA-N
XLogP0.15
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-propan-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80885559
N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765891
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
N-ethyl-4-(2-methoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80860019
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007
4-N-ethyl-2-N-(4-methylpentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80810899
4-butan-2-ylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887639
N-ethyl-4-(3-methylbutoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80858159
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80884418) is N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(Sc2ncn[nH]2)nc(-n2cncn2)n1.
What is the InChIKey of N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is DUHZCWVRXINMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N10S/c1-2-11-6-15-7(19-5-10-3-14-19)17-9(16-6)20-8-12-4-13-18-8/h3-5H,2H2,1H3,(H,12,13,18)(H,11,15,16,17).
What are the key properties of N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 290.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80884418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).