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

C19H30N6 — CID 128953223

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NC2CCN(CC3CCCC3)CC2)n2ncnc2n1
InChIInChI=1S/C19H30N6/c1-2-5-17-12-18(25-19(23-17)20-14-21-25)22-16-8-10-24(11-9-16)13-15-6-3-4-7-15/h12,14-16,22H,2-11,13H2,1H3
InChIKeyTZOVHUWGSRAEOF-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.14
Rot. Bonds6

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

N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 128953223) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID128953223
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NC2CCN(CC3CCCC3)CC2)n2ncnc2n1
InChIInChI=1S/C19H30N6/c1-2-5-17-12-18(25-19(23-17)20-14-21-25)22-16-8-10-24(11-9-16)13-15-6-3-4-7-15/h12,14-16,22H,2-11,13H2,1H3
InChIKeyTZOVHUWGSRAEOF-UHFFFAOYSA-N
XLogP3.14
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 128953223) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NC2CCN(CC3CCCC3)CC2)n2ncnc2n1.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TZOVHUWGSRAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-2-5-17-12-18(25-19(23-17)20-14-21-25)22-16-8-10-24(11-9-16)13-15-6-3-4-7-15/h12,14-16,22H,2-11,13H2,1H3.
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 342.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 128953223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).