2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C13H17N5 — CID 137012133

IUPAC2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1nc2n(n1)C(c1ccccn1)CCN2
InChIInChI=1S/C13H17N5/c1-9(2)12-16-13-15-8-6-11(18(13)17-12)10-5-3-4-7-14-10/h3-5,7,9,11H,6,8H2,1-2H3,(H,15,16,17)
InChIKeyXGLCNSBJTGKUKG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds2

About 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 137012133) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID137012133
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1nc2n(n1)C(c1ccccn1)CCN2
InChIInChI=1S/C13H17N5/c1-9(2)12-16-13-15-8-6-11(18(13)17-12)10-5-3-4-7-14-10/h3-5,7,9,11H,6,8H2,1-2H3,(H,15,16,17)
InChIKeyXGLCNSBJTGKUKG-UHFFFAOYSA-N
XLogP2.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 137012133) is 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)c1nc2n(n1)C(c1ccccn1)CCN2.
What is the InChIKey of 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XGLCNSBJTGKUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9(2)12-16-13-15-8-6-11(18(13)17-12)10-5-3-4-7-14-10/h3-5,7,9,11H,6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137012133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).