1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine

C20H32N8 — CID 174679299

IUPAC1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(-c2ccc(CCCN3CCC(N4CCCCC4)CC3)nc2)n1
InChIInChI=1S/C20H32N8/c21-19-24-20(22)28(25-19)18-7-6-16(23-15-18)5-4-10-26-13-8-17(9-14-26)27-11-2-1-3-12-27/h6-7,15,17H,1-5,8-14H2,(H4,21,22,24,25)
InChIKeyOLWOFUIOEUOBKM-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.71
Rot. Bonds6

About 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine

1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine (PubChem CID 174679299) has the molecular formula C20H32N8 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine
PubChem CID174679299
Molecular FormulaC20H32N8
Molecular Weight384.53 g/mol
Exact Mass384.27
IUPAC Name1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(-c2ccc(CCCN3CCC(N4CCCCC4)CC3)nc2)n1
InChIInChI=1S/C20H32N8/c21-19-24-20(22)28(25-19)18-7-6-16(23-15-18)5-4-10-26-13-8-17(9-14-26)27-11-2-1-3-12-27/h6-7,15,17H,1-5,8-14H2,(H4,21,22,24,25)
InChIKeyOLWOFUIOEUOBKM-UHFFFAOYSA-N
XLogP1.71
TPSA102.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine (CID 174679299) is 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine is Nc1nc(N)n(-c2ccc(CCCN3CCC(N4CCCCC4)CC3)nc2)n1.
What is the InChIKey of 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine?
The InChIKey is OLWOFUIOEUOBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8/c21-19-24-20(22)28(25-19)18-7-6-16(23-15-18)5-4-10-26-13-8-17(9-14-26)27-11-2-1-3-12-27/h6-7,15,17H,1-5,8-14H2,(H4,21,22,24,25).
What are the key properties of 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine?
1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine has a molecular weight of 384.53 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 174679299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).