N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide

C20H27N7O — CID 90557810

IUPACN-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)ncnc21
InChIInChI=1S/C20H27N7O/c1-2-27-18-16(24-25-27)17(21-11-22-18)26-9-15(10-26)19(28)23-20-6-12-3-13(7-20)5-14(4-12)8-20/h11-15H,2-10H2,1H3,(H,23,28)
InChIKeyUQLWESYAYZCXMI-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.76
Rot. Bonds4

About N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide

N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (PubChem CID 90557810) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
PubChem CID90557810
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC NameN-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
SMILESCCn1nnc2c(N3CC(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)ncnc21
InChIInChI=1S/C20H27N7O/c1-2-27-18-16(24-25-27)17(21-11-22-18)26-9-15(10-26)19(28)23-20-6-12-3-13(7-20)5-14(4-12)8-20/h11-15H,2-10H2,1H3,(H,23,28)
InChIKeyUQLWESYAYZCXMI-UHFFFAOYSA-N
XLogP1.76
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide (CID 90557810) is N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is CCn1nnc2c(N3CC(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)ncnc21.
What is the InChIKey of N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
The InChIKey is UQLWESYAYZCXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-2-27-18-16(24-25-27)17(21-11-22-18)26-9-15(10-26)19(28)23-20-6-12-3-13(7-20)5-14(4-12)8-20/h11-15H,2-10H2,1H3,(H,23,28).
What are the key properties of N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide?
N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90557810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).