N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine

C15H21ClN6 — CID 138052166

IUPACN-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cn(Cc3ccc(Cl)cn3)nn2)CC1
InChIInChI=1S/C15H21ClN6/c1-21-6-4-13(5-7-21)18-9-15-11-22(20-19-15)10-14-3-2-12(16)8-17-14/h2-3,8,11,13,18H,4-7,9-10H2,1H3
InChIKeyHYPNFXHXTUQKIC-UHFFFAOYSA-N
MW320.83 g/mol
LogP1.56
Rot. Bonds5

About N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine

N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine (PubChem CID 138052166) has the molecular formula C15H21ClN6 and a molecular weight of 320.83 g/mol. Its IUPAC name is N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine
PubChem CID138052166
Molecular FormulaC15H21ClN6
Molecular Weight320.83 g/mol
Exact Mass320.15
IUPAC NameN-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2cn(Cc3ccc(Cl)cn3)nn2)CC1
InChIInChI=1S/C15H21ClN6/c1-21-6-4-13(5-7-21)18-9-15-11-22(20-19-15)10-14-3-2-12(16)8-17-14/h2-3,8,11,13,18H,4-7,9-10H2,1H3
InChIKeyHYPNFXHXTUQKIC-UHFFFAOYSA-N
XLogP1.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine (CID 138052166) is N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2cn(Cc3ccc(Cl)cn3)nn2)CC1.
What is the InChIKey of N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is HYPNFXHXTUQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6/c1-21-6-4-13(5-7-21)18-9-15-11-22(20-19-15)10-14-3-2-12(16)8-17-14/h2-3,8,11,13,18H,4-7,9-10H2,1H3.
What are the key properties of N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine?
N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 320.83 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-2-pyridinyl)methyl]triazol-4-yl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 138052166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).