1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]

C18H20N4O — CID 146140748

IUPAC1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]
SMILESCc1nnc(N2CCCC3(C=Cc4ccccc4O3)C2)nc1C
InChIInChI=1S/C18H20N4O/c1-13-14(2)20-21-17(19-13)22-11-5-9-18(12-22)10-8-15-6-3-4-7-16(15)23-18/h3-4,6-8,10H,5,9,11-12H2,1-2H3
InChIKeyRTDPOJXFCPNAQI-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.93
Rot. Bonds1

About 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]

1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine] (PubChem CID 146140748) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine].

Molecular Properties

Compound Name1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]
PubChem CID146140748
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]
SMILESCc1nnc(N2CCCC3(C=Cc4ccccc4O3)C2)nc1C
InChIInChI=1S/C18H20N4O/c1-13-14(2)20-21-17(19-13)22-11-5-9-18(12-22)10-8-15-6-3-4-7-16(15)23-18/h3-4,6-8,10H,5,9,11-12H2,1-2H3
InChIKeyRTDPOJXFCPNAQI-UHFFFAOYSA-N
XLogP2.93
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]?
The IUPAC name of 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine] (CID 146140748) is 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine].
What is the SMILES notation for 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]?
The canonical SMILES for 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine] is Cc1nnc(N2CCCC3(C=Cc4ccccc4O3)C2)nc1C.
What is the InChIKey of 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]?
The InChIKey is RTDPOJXFCPNAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-14(2)20-21-17(19-13)22-11-5-9-18(12-22)10-8-15-6-3-4-7-16(15)23-18/h3-4,6-8,10H,5,9,11-12H2,1-2H3.
What are the key properties of 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine]?
1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine] has a molecular weight of 308.39 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5,6-dimethyl-1,2,4-triazin-3-yl)spiro[chromene-2,3'-piperidine] is sourced from PubChem (CID 146140748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).