4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C17H24N6 — CID 56778068

IUPAC4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(C)n(CC2CCCN(c3ncnc4c3CCC4)C2)n1
InChIInChI=1S/C17H24N6/c1-12-20-13(2)23(21-12)10-14-5-4-8-22(9-14)17-15-6-3-7-16(15)18-11-19-17/h11,14H,3-10H2,1-2H3
InChIKeyPAKYWHXOYZXYLR-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.09
Rot. Bonds3

About 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 56778068) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID56778068
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(C)n(CC2CCCN(c3ncnc4c3CCC4)C2)n1
InChIInChI=1S/C17H24N6/c1-12-20-13(2)23(21-12)10-14-5-4-8-22(9-14)17-15-6-3-7-16(15)18-11-19-17/h11,14H,3-10H2,1-2H3
InChIKeyPAKYWHXOYZXYLR-UHFFFAOYSA-N
XLogP2.09
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 56778068) is 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(C)n(CC2CCCN(c3ncnc4c3CCC4)C2)n1.
What is the InChIKey of 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is PAKYWHXOYZXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-12-20-13(2)23(21-12)10-14-5-4-8-22(9-14)17-15-6-3-7-16(15)18-11-19-17/h11,14H,3-10H2,1-2H3.
What are the key properties of 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 56778068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).