1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine

C18H24N8 — CID 167878660

IUPAC1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine
SMILESCn1c(Cn2cc(CN3CCC(N)CC3)nn2)nnc1-c1ccccc1
InChIInChI=1S/C18H24N8/c1-24-17(21-22-18(24)14-5-3-2-4-6-14)13-26-12-16(20-23-26)11-25-9-7-15(19)8-10-25/h2-6,12,15H,7-11,13,19H2,1H3
InChIKeyMWNLJEUSWZDVCX-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.04
Rot. Bonds5

About 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine

1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine (PubChem CID 167878660) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine
PubChem CID167878660
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine
SMILESCn1c(Cn2cc(CN3CCC(N)CC3)nn2)nnc1-c1ccccc1
InChIInChI=1S/C18H24N8/c1-24-17(21-22-18(24)14-5-3-2-4-6-14)13-26-12-16(20-23-26)11-25-9-7-15(19)8-10-25/h2-6,12,15H,7-11,13,19H2,1H3
InChIKeyMWNLJEUSWZDVCX-UHFFFAOYSA-N
XLogP1.04
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine (CID 167878660) is 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine is Cn1c(Cn2cc(CN3CCC(N)CC3)nn2)nnc1-c1ccccc1.
What is the InChIKey of 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is MWNLJEUSWZDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-24-17(21-22-18(24)14-5-3-2-4-6-14)13-26-12-16(20-23-26)11-25-9-7-15(19)8-10-25/h2-6,12,15H,7-11,13,19H2,1H3.
What are the key properties of 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine?
1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 352.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 167878660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).