(8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid

C14H20N6O2 — CID 67250553

IUPAC(8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)c1nnc2c(N3CCCCC3)nccn12
InChIInChI=1S/C14H20N6O2/c1-10(2)20(14(21)22)13-17-16-12-11(15-6-9-19(12)13)18-7-4-3-5-8-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,21,22)
InChIKeyFHKBZBMPINHTRS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.01
Rot. Bonds3

About (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid

(8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid (PubChem CID 67250553) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid
PubChem CID67250553
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name(8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)c1nnc2c(N3CCCCC3)nccn12
InChIInChI=1S/C14H20N6O2/c1-10(2)20(14(21)22)13-17-16-12-11(15-6-9-19(12)13)18-7-4-3-5-8-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,21,22)
InChIKeyFHKBZBMPINHTRS-UHFFFAOYSA-N
XLogP2.01
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid?
The IUPAC name of (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid (CID 67250553) is (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid.
What is the SMILES notation for (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid?
The canonical SMILES for (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid is CC(C)N(C(=O)O)c1nnc2c(N3CCCCC3)nccn12.
What is the InChIKey of (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid?
The InChIKey is FHKBZBMPINHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10(2)20(14(21)22)13-17-16-12-11(15-6-9-19(12)13)18-7-4-3-5-8-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,21,22).
What are the key properties of (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid?
(8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid has a molecular weight of 304.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-propan-2-ylcarbamic acid is sourced from PubChem (CID 67250553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).