2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C10H13N5 — CID 84671641

IUPAC2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cnc2nc(C3CCNCC3)nn2c1
InChIInChI=1S/C10H13N5/c1-4-12-10-13-9(14-15(10)7-1)8-2-5-11-6-3-8/h1,4,7-8,11H,2-3,5-6H2
InChIKeyCVZXKZGCACLUOP-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.59
Rot. Bonds1

About 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 84671641) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID84671641
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cnc2nc(C3CCNCC3)nn2c1
InChIInChI=1S/C10H13N5/c1-4-12-10-13-9(14-15(10)7-1)8-2-5-11-6-3-8/h1,4,7-8,11H,2-3,5-6H2
InChIKeyCVZXKZGCACLUOP-UHFFFAOYSA-N
XLogP0.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83964857
6-ethyl-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84785460
8-methyl-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117135835
3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 84711827
2-[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50980083
ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 90849643
6-chloro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84798908
7-bromo-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83844620
(3-piperidin-4-yl-2-pyridinyl)methanamine
CID 152769821
6-piperidin-4-ylimidazo[1,2-a]pyrimidine
CID 59627469
2-methyl-8-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83832036
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 84671641) is 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1cnc2nc(C3CCNCC3)nn2c1.
What is the InChIKey of 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CVZXKZGCACLUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-4-12-10-13-9(14-15(10)7-1)8-2-5-11-6-3-8/h1,4,7-8,11H,2-3,5-6H2.
What are the key properties of 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 203.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84671641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).