N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine

C16H20N4O — CID 105362592

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC2CCOc3ccccc32)nc1CC
InChIInChI=1S/C16H20N4O/c1-3-12-13(4-2)19-20-16(17-12)18-14-9-10-21-15-8-6-5-7-11(14)15/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,18,20)
InChIKeyPFRQCZFMMGSMAM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.93
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine

N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105362592) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105362592
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC2CCOc3ccccc32)nc1CC
InChIInChI=1S/C16H20N4O/c1-3-12-13(4-2)19-20-16(17-12)18-14-9-10-21-15-8-6-5-7-11(14)15/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,18,20)
InChIKeyPFRQCZFMMGSMAM-UHFFFAOYSA-N
XLogP2.93
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine (CID 105362592) is N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NC2CCOc3ccccc32)nc1CC.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is PFRQCZFMMGSMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-12-13(4-2)19-20-16(17-12)18-14-9-10-21-15-8-6-5-7-11(14)15/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,18,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).