2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline

C20H22N4 — CID 19583070

IUPAC2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc2c(c1)ncn1nc(CC34CC5CC(CC(C5)C3)C4)nc21
InChIInChI=1S/C20H22N4/c1-2-4-17-16(3-1)19-22-18(23-24(19)12-21-17)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,12-15H,5-11H2
InChIKeyLXIQDDBVAZZIGG-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.04
Rot. Bonds2

About 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline

2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 19583070) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID19583070
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc2c(c1)ncn1nc(CC34CC5CC(CC(C5)C3)C4)nc21
InChIInChI=1S/C20H22N4/c1-2-4-17-16(3-1)19-22-18(23-24(19)12-21-17)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,12-15H,5-11H2
InChIKeyLXIQDDBVAZZIGG-UHFFFAOYSA-N
XLogP4.04
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 19583070) is 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline is c1ccc2c(c1)ncn1nc(CC34CC5CC(CC(C5)C3)C4)nc21.
What is the InChIKey of 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is LXIQDDBVAZZIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-4-17-16(3-1)19-22-18(23-24(19)12-21-17)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,12-15H,5-11H2.
What are the key properties of 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 318.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 19583070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).