N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine

C11H21N5 — CID 106635758

IUPACN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESCN(Cc1nncn1C)CC1CCCCN1
InChIInChI=1S/C11H21N5/c1-15(7-10-5-3-4-6-12-10)8-11-14-13-9-16(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeySHGNZRRIYROJLK-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds4

About N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine

N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 106635758) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID106635758
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESCN(Cc1nncn1C)CC1CCCCN1
InChIInChI=1S/C11H21N5/c1-15(7-10-5-3-4-6-12-10)8-11-14-13-9-16(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeySHGNZRRIYROJLK-UHFFFAOYSA-N
XLogP0.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618380
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 94939254
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylacetamide
CID 62117188
1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
CID 64570164
N-methyl-2-(1-methylimidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106635225
N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 106623020
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
N-(1H-imidazol-5-ylmethyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 106635288
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine (CID 106635758) is N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine is CN(Cc1nncn1C)CC1CCCCN1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is SHGNZRRIYROJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-15(7-10-5-3-4-6-12-10)8-11-14-13-9-16(11)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine?
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 106635758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).