5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine

C20H23N5O — CID 112947401

IUPAC5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESc1ccc(CC2CCN(c3cnnc(NCc4ccco4)n3)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-2-5-16(6-3-1)13-17-8-10-25(11-9-17)19-15-22-24-20(23-19)21-14-18-7-4-12-26-18/h1-7,12,15,17H,8-11,13-14H2,(H,21,23,24)
InChIKeyOTUBENCSAMKXFJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.54
Rot. Bonds6

About 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine

5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 112947401) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID112947401
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESc1ccc(CC2CCN(c3cnnc(NCc4ccco4)n3)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-2-5-16(6-3-1)13-17-8-10-25(11-9-17)19-15-22-24-20(23-19)21-14-18-7-4-12-26-18/h1-7,12,15,17H,8-11,13-14H2,(H,21,23,24)
InChIKeyOTUBENCSAMKXFJ-UHFFFAOYSA-N
XLogP3.54
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950640
5-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951205
6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
5-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine
CID 112960286
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883410
5-N-(furan-2-ylmethyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112947185
5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947355
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 112942587
furan-2-yl-[4-[3-(3-phenylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
CID 112957733
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine (CID 112947401) is 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine is c1ccc(CC2CCN(c3cnnc(NCc4ccco4)n3)CC2)cc1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is OTUBENCSAMKXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-5-16(6-3-1)13-17-8-10-25(11-9-17)19-15-22-24-20(23-19)21-14-18-7-4-12-26-18/h1-7,12,15,17H,8-11,13-14H2,(H,21,23,24).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine?
5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 349.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112947401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).