1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine

C13H19N5O2 — CID 106227854

IUPAC1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2nccc(OC)c2OC)nn1
InChIInChI=1S/C13H19N5O2/c1-4-9(14)10-7-18(17-16-10)8-11-13(20-3)12(19-2)5-6-15-11/h5-7,9H,4,8,14H2,1-3H3
InChIKeyRXRWEFQLPFHKGV-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.15
Rot. Bonds6

About 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine

1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106227854) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106227854
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2nccc(OC)c2OC)nn1
InChIInChI=1S/C13H19N5O2/c1-4-9(14)10-7-18(17-16-10)8-11-13(20-3)12(19-2)5-6-15-11/h5-7,9H,4,8,14H2,1-3H3
InChIKeyRXRWEFQLPFHKGV-UHFFFAOYSA-N
XLogP1.15
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]propan-1-amine
CID 106227853
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721365
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
6-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 167819900
1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106228352
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161090
1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]butan-1-amine
CID 106228693
1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160986
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
3-[[4-(1-aminopropyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
CID 106228340
1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidine-4-carbothioamide
CID 103172874

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine (CID 106227854) is 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine is CCC(N)c1cn(Cc2nccc(OC)c2OC)nn1.
What is the InChIKey of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is RXRWEFQLPFHKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-9(14)10-7-18(17-16-10)8-11-13(20-3)12(19-2)5-6-15-11/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine?
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 277.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).