4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine

C13H21N7S — CID 80904735

IUPAC4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NC(C)c2ccsc2)n1
InChIInChI=1S/C13H21N7S/c1-4-20(5-2)13-17-11(16-12(18-13)19-14)15-9(3)10-6-7-21-8-10/h6-9H,4-5,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyGUADAVMHFBWZPB-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.24
Rot. Bonds7

About 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80904735) has the molecular formula C13H21N7S and a molecular weight of 307.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80904735
Molecular FormulaC13H21N7S
Molecular Weight307.43 g/mol
Exact Mass307.16
IUPAC Name4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(NC(C)c2ccsc2)n1
InChIInChI=1S/C13H21N7S/c1-4-20(5-2)13-17-11(16-12(18-13)19-14)15-9(3)10-6-7-21-8-10/h6-9H,4-5,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyGUADAVMHFBWZPB-UHFFFAOYSA-N
XLogP2.24
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80901070
4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80825243
4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
CID 113491500
3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358407
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65274547
4-ethyl-N-(1-thiophen-3-ylethyl)-1,3-thiazol-2-amine
CID 62962097
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113467023
2-N,2-N-diethyl-4-N-[1-(furan-2-yl)ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80773788
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
6-hydrazinyl-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80919084

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80904735) is 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NN)nc(NC(C)c2ccsc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GUADAVMHFBWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7S/c1-4-20(5-2)13-17-11(16-12(18-13)19-14)15-9(3)10-6-7-21-8-10/h6-9H,4-5,14H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80904735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).