4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine

C12H18N6OS — CID 80897742

IUPAC4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine
SMILESCCCC(Nc1nc(NN)nc(OC)n1)c1cccs1
InChIInChI=1S/C12H18N6OS/c1-3-5-8(9-6-4-7-20-9)14-10-15-11(18-13)17-12(16-10)19-2/h4,6-8H,3,5,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyCXZVSJNMPLIQIU-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.18
Rot. Bonds7

About 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine (PubChem CID 80897742) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine
PubChem CID80897742
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine
SMILESCCCC(Nc1nc(NN)nc(OC)n1)c1cccs1
InChIInChI=1S/C12H18N6OS/c1-3-5-8(9-6-4-7-20-9)14-10-15-11(18-13)17-12(16-10)19-2/h4,6-8H,3,5,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyCXZVSJNMPLIQIU-UHFFFAOYSA-N
XLogP2.18
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
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'}

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Related Compounds

4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 115974776
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
CID 114405921

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine (CID 80897742) is 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine is CCCC(Nc1nc(NN)nc(OC)n1)c1cccs1.
What is the InChIKey of 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine?
The InChIKey is CXZVSJNMPLIQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-5-8(9-6-4-7-20-9)14-10-15-11(18-13)17-12(16-10)19-2/h4,6-8H,3,5,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine has a molecular weight of 294.38 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 4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80897742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).