2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine

C15H23N5O — CID 107041509

IUPAC2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCc1ccc(OCc2cn(C)nn2)c(CNCC(C)C)n1
InChIInChI=1S/C15H23N5O/c1-11(2)7-16-8-14-15(6-5-12(3)17-14)21-10-13-9-20(4)19-18-13/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyMISQLRPKCYELFM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.84
Rot. Bonds7

About 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 107041509) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID107041509
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCc1ccc(OCc2cn(C)nn2)c(CNCC(C)C)n1
InChIInChI=1S/C15H23N5O/c1-11(2)7-16-8-14-15(6-5-12(3)17-14)21-10-13-9-20(4)19-18-13/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyMISQLRPKCYELFM-UHFFFAOYSA-N
XLogP1.84
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine (CID 107041509) is 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine is Cc1ccc(OCc2cn(C)nn2)c(CNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is MISQLRPKCYELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)7-16-8-14-15(6-5-12(3)17-14)21-10-13-9-20(4)19-18-13/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 107041509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).