[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

C14H26N6 — CID 64575141

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CCn3cnnc3C2)CC1
InChIInChI=1S/C14H26N6/c1-12(2)18-5-3-14(10-15,4-6-18)20-8-7-19-11-16-17-13(19)9-20/h11-12H,3-10,15H2,1-2H3
InChIKeyNBTXIDYAQNGNGP-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.30
Rot. Bonds3

About [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (PubChem CID 64575141) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
PubChem CID64575141
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CCn3cnnc3C2)CC1
InChIInChI=1S/C14H26N6/c1-12(2)18-5-3-14(10-15,4-6-18)20-8-7-19-11-16-17-13(19)9-20/h11-12H,3-10,15H2,1-2H3
InChIKeyNBTXIDYAQNGNGP-UHFFFAOYSA-N
XLogP0.30
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (CID 64575141) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is CC(C)N1CCC(CN)(N2CCn3cnnc3C2)CC1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The InChIKey is NBTXIDYAQNGNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-12(2)18-5-3-14(10-15,4-6-18)20-8-7-19-11-16-17-13(19)9-20/h11-12H,3-10,15H2,1-2H3.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is sourced from PubChem (CID 64575141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).