N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H20N6OS — CID 80929885

IUPACN-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCc1ccsc1CNc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C13H20N6OS/c1-4-9-5-6-21-10(9)7-15-11-16-12(19-14)18-13(17-11)20-8(2)3/h5-6,8H,4,7,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJUDDIHCOZXJFSA-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.18
Rot. Bonds7

About N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80929885) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80929885
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCc1ccsc1CNc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C13H20N6OS/c1-4-9-5-6-21-10(9)7-15-11-16-12(19-14)18-13(17-11)20-8(2)3/h5-6,8H,4,7,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJUDDIHCOZXJFSA-UHFFFAOYSA-N
XLogP2.18
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.18
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 N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80898763
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652752
4-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80902613
N-(furan-2-ylmethyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80932923
4-hydrazinyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943161
4-N-[(3-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80854992
N-ethyl-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]acetamide
CID 80906622
4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
4-hydrazinyl-N-(2-methoxyethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80931989
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 80932481

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80929885) is N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCc1ccsc1CNc1nc(NN)nc(OC(C)C)n1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is JUDDIHCOZXJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-9-5-6-21-10(9)7-15-11-16-12(19-14)18-13(17-11)20-8(2)3/h5-6,8H,4,7,14H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 308.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80929885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).