4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C12H20N8S — CID 80907702

IUPAC4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NCCc2nccs2)n1
InChIInChI=1S/C12H20N8S/c1-3-20(4-2)12-17-10(16-11(18-12)19-13)15-6-5-9-14-7-8-21-9/h7-8H,3-6,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyDRSKWMIZUMMQEB-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.11
Rot. Bonds8

About 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80907702) has the molecular formula C12H20N8S and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80907702
Molecular FormulaC12H20N8S
Molecular Weight308.42 g/mol
Exact Mass308.15
IUPAC Name4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NCCc2nccs2)n1
InChIInChI=1S/C12H20N8S/c1-3-20(4-2)12-17-10(16-11(18-12)19-13)15-6-5-9-14-7-8-21-9/h7-8H,3-6,13H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyDRSKWMIZUMMQEB-UHFFFAOYSA-N
XLogP1.11
TPSA104.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80782409
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80901070
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80906358
2-ethyl-6-hydrazinyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 81007235
4-N,4-N-diethyl-6-hydrazinyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 106332376
2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80801144
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113467023
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813787
4-N,4-N-diethyl-6-hydrazinyl-2-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80906512
6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942872
1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159869

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80907702) is 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NN)nc(NCCc2nccs2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DRSKWMIZUMMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8S/c1-3-20(4-2)12-17-10(16-11(18-12)19-13)15-6-5-9-14-7-8-21-9/h7-8H,3-6,13H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 308.42 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80907702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).