2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C19H21N7 — CID 133455675

IUPAC2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCC(n5ccnn5)CC4)n2)CCC3)nc1
InChIInChI=1S/C19H21N7/c1-2-9-20-17(5-1)18-22-16-6-3-4-15(16)19(23-18)25-11-7-14(8-12-25)26-13-10-21-24-26/h1-2,5,9-10,13-14H,3-4,6-8,11-12H2
InChIKeyCZDFMGWEDAGOHX-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.46
Rot. Bonds3

About 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 133455675) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID133455675
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCC(n5ccnn5)CC4)n2)CCC3)nc1
InChIInChI=1S/C19H21N7/c1-2-9-20-17(5-1)18-22-16-6-3-4-15(16)19(23-18)25-11-7-14(8-12-25)26-13-10-21-24-26/h1-2,5,9-10,13-14H,3-4,6-8,11-12H2
InChIKeyCZDFMGWEDAGOHX-UHFFFAOYSA-N
XLogP2.46
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 133455675) is 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1ccc(-c2nc3c(c(N4CCC(n5ccnn5)CC4)n2)CCC3)nc1.
What is the InChIKey of 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is CZDFMGWEDAGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-2-9-20-17(5-1)18-22-16-6-3-4-15(16)19(23-18)25-11-7-14(8-12-25)26-13-10-21-24-26/h1-2,5,9-10,13-14H,3-4,6-8,11-12H2.
What are the key properties of 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 347.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 133455675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).