4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine

C12H18N6O2 — CID 80918972

IUPAC4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCc2ccc(C)o2)n1
InChIInChI=1S/C12H18N6O2/c1-3-6-19-12-16-10(15-11(17-12)18-13)14-7-9-5-4-8(2)20-9/h4-5H,3,6-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOCVKEBWLYWFIDC-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.46
Rot. Bonds7

About 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine

4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80918972) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80918972
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCc2ccc(C)o2)n1
InChIInChI=1S/C12H18N6O2/c1-3-6-19-12-16-10(15-11(17-12)18-13)14-7-9-5-4-8(2)20-9/h4-5H,3,6-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOCVKEBWLYWFIDC-UHFFFAOYSA-N
XLogP1.46
TPSA111.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.46
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-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80923965
4-hydrazinyl-6-propoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943280
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
CID 58040323
[4-(furan-2-ylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909640
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpentan-2-ol
CID 106294543
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine (CID 80918972) is 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NCc2ccc(C)o2)n1.
What is the InChIKey of 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is OCVKEBWLYWFIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-6-19-12-16-10(15-11(17-12)18-13)14-7-9-5-4-8(2)20-9/h4-5H,3,6-7,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine?
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 278.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80918972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).