4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine

C14H20N6O — CID 80870922

IUPAC4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(NCCC)nc(-n2ccnc2)n1
InChIInChI=1S/C14H20N6O/c1-3-5-6-10-21-14-18-12(16-7-4-2)17-13(19-14)20-9-8-15-11-20/h3,8-9,11H,1,4-7,10H2,2H3,(H,16,17,18,19)
InChIKeyDHNMXWJAGBOWJY-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.22
Rot. Bonds9

About 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80870922) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80870922
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(NCCC)nc(-n2ccnc2)n1
InChIInChI=1S/C14H20N6O/c1-3-5-6-10-21-14-18-12(16-7-4-2)17-13(19-14)20-9-8-15-11-20/h3,8-9,11H,1,4-7,10H2,2H3,(H,16,17,18,19)
InChIKeyDHNMXWJAGBOWJY-UHFFFAOYSA-N
XLogP2.22
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80858138
4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878028
2-N,2-N-diethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80870733
(4-heptoxy-6-imidazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80906950
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574
2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80878030
2-but-3-enoxy-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 55124288
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80832648

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine (CID 80870922) is 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine is C=CCCCOc1nc(NCCC)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is DHNMXWJAGBOWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-5-6-10-21-14-18-12(16-7-4-2)17-13(19-14)20-9-8-15-11-20/h3,8-9,11H,1,4-7,10H2,2H3,(H,16,17,18,19).
What are the key properties of 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).