1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine

C17H26N6O — CID 138056443

IUPAC1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine
SMILESCOc1cc(C)nc(Cn2cc(CCN3CCC(N)CC3)nn2)c1
InChIInChI=1S/C17H26N6O/c1-13-9-17(24-2)10-16(19-13)12-23-11-15(20-21-23)5-8-22-6-3-14(18)4-7-22/h9-11,14H,3-8,12,18H2,1-2H3
InChIKeyMRJGMIDCEDPDDV-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.00
Rot. Bonds6

About 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine

1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine (PubChem CID 138056443) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine
PubChem CID138056443
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine
SMILESCOc1cc(C)nc(Cn2cc(CCN3CCC(N)CC3)nn2)c1
InChIInChI=1S/C17H26N6O/c1-13-9-17(24-2)10-16(19-13)12-23-11-15(20-21-23)5-8-22-6-3-14(18)4-7-22/h9-11,14H,3-8,12,18H2,1-2H3
InChIKeyMRJGMIDCEDPDDV-UHFFFAOYSA-N
XLogP1.00
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine (CID 138056443) is 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine is COc1cc(C)nc(Cn2cc(CCN3CCC(N)CC3)nn2)c1.
What is the InChIKey of 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine?
The InChIKey is MRJGMIDCEDPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-9-17(24-2)10-16(19-13)12-23-11-15(20-21-23)5-8-22-6-3-14(18)4-7-22/h9-11,14H,3-8,12,18H2,1-2H3.
What are the key properties of 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine?
1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazol-4-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 138056443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).