N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H21N5 — CID 650770

IUPACN-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2C3CC4CC(C3)CC2C4)n2ncnc2n1
InChIInChI=1S/C16H21N5/c1-9-2-14(21-16(19-9)17-8-18-21)20-15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15,20H,3-7H2,1H3
InChIKeyFFLKBKDGCRNGCQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.67
Rot. Bonds2

About N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 650770) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID650770
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2C3CC4CC(C3)CC2C4)n2ncnc2n1
InChIInChI=1S/C16H21N5/c1-9-2-14(21-16(19-9)17-8-18-21)20-15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15,20H,3-7H2,1H3
InChIKeyFFLKBKDGCRNGCQ-UHFFFAOYSA-N
XLogP2.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 650770) is N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2C3CC4CC(C3)CC2C4)n2ncnc2n1.
What is the InChIKey of N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FFLKBKDGCRNGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-9-2-14(21-16(19-9)17-8-18-21)20-15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15,20H,3-7H2,1H3.
What are the key properties of N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 283.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 650770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).