[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone

C16H24N8O2 — CID 70719720

IUPAC[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCn1c(Cn2cncn2)nnc1C1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H24N8O2/c1-21-14(10-24-12-17-11-18-24)19-20-15(21)13-2-4-22(5-3-13)16(25)23-6-8-26-9-7-23/h11-13H,2-10H2,1H3
InChIKeyHZHHOYPTTJMRKF-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.09
Rot. Bonds3

About [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone

[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 70719720) has the molecular formula C16H24N8O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID70719720
Molecular FormulaC16H24N8O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC Name[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCn1c(Cn2cncn2)nnc1C1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H24N8O2/c1-21-14(10-24-12-17-11-18-24)19-20-15(21)13-2-4-22(5-3-13)16(25)23-6-8-26-9-7-23/h11-13H,2-10H2,1H3
InChIKeyHZHHOYPTTJMRKF-UHFFFAOYSA-N
XLogP0.09
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 70719720) is [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone is Cn1c(Cn2cncn2)nnc1C1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is HZHHOYPTTJMRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O2/c1-21-14(10-24-12-17-11-18-24)19-20-15(21)13-2-4-22(5-3-13)16(25)23-6-8-26-9-7-23/h11-13H,2-10H2,1H3.
What are the key properties of [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 360.42 g/mol, XLogP of 0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70719720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).