7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C17H26N4 — CID 136840131

IUPAC7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nc2n(n1)C(C13CC4CC(CC(C4)C1)C3)CCN2
InChIInChI=1S/C17H26N4/c1-2-15-19-16-18-4-3-14(21(16)20-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,2-10H2,1H3,(H,18,19,20)
InChIKeySEUNPPKAZQRUKJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.41
Rot. Bonds2

About 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136840131) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136840131
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nc2n(n1)C(C13CC4CC(CC(C4)C1)C3)CCN2
InChIInChI=1S/C17H26N4/c1-2-15-19-16-18-4-3-14(21(16)20-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,2-10H2,1H3,(H,18,19,20)
InChIKeySEUNPPKAZQRUKJ-UHFFFAOYSA-N
XLogP3.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136840131) is 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1nc2n(n1)C(C13CC4CC(CC(C4)C1)C3)CCN2.
What is the InChIKey of 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SEUNPPKAZQRUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-15-19-16-18-4-3-14(21(16)20-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,2-10H2,1H3,(H,18,19,20).
What are the key properties of 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 286.42 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-adamantyl)-2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).