N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine

C19H22N6 — CID 127616496

IUPACN-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
SMILESc1ccc(-c2cc(N3CCC(NC4CC4)CC3)n3ncnc3n2)cc1
InChIInChI=1S/C19H22N6/c1-2-4-14(5-3-1)17-12-18(25-19(23-17)20-13-21-25)24-10-8-16(9-11-24)22-15-6-7-15/h1-5,12-13,15-16,22H,6-11H2
InChIKeyHDJIZEVNLKKZKT-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.51
Rot. Bonds4

About N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine

N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine (PubChem CID 127616496) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
PubChem CID127616496
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
SMILESc1ccc(-c2cc(N3CCC(NC4CC4)CC3)n3ncnc3n2)cc1
InChIInChI=1S/C19H22N6/c1-2-4-14(5-3-1)17-12-18(25-19(23-17)20-13-21-25)24-10-8-16(9-11-24)22-15-6-7-15/h1-5,12-13,15-16,22H,6-11H2
InChIKeyHDJIZEVNLKKZKT-UHFFFAOYSA-N
XLogP2.51
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine?
The IUPAC name of N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine (CID 127616496) is N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine?
The canonical SMILES for N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine is c1ccc(-c2cc(N3CCC(NC4CC4)CC3)n3ncnc3n2)cc1.
What is the InChIKey of N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine?
The InChIKey is HDJIZEVNLKKZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-4-14(5-3-1)17-12-18(25-19(23-17)20-13-21-25)24-10-8-16(9-11-24)22-15-6-7-15/h1-5,12-13,15-16,22H,6-11H2.
What are the key properties of N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine?
N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine is sourced from PubChem (CID 127616496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).