(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine

C12H17N5O — CID 105182118

IUPAC(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cccnc1OC
InChIInChI=1S/C12H17N5O/c1-3-7-17-10(8-15-16-17)11(13)9-5-4-6-14-12(9)18-2/h4-6,8,11H,3,7,13H2,1-2H3
InChIKeyJVHSVTIFUPAPFK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.14
Rot. Bonds5

About (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine

(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 105182118) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine
PubChem CID105182118
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cccnc1OC
InChIInChI=1S/C12H17N5O/c1-3-7-17-10(8-15-16-17)11(13)9-5-4-6-14-12(9)18-2/h4-6,8,11H,3,7,13H2,1-2H3
InChIKeyJVHSVTIFUPAPFK-UHFFFAOYSA-N
XLogP1.14
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038798
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(3-propyltriazol-4-yl)-pyrimidin-4-ylmethanamine
CID 114687777
(3-propyltriazol-4-yl)-pyrazin-2-ylmethanamine
CID 114687030
(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 105128734
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
[(3-propyltriazol-4-yl)-quinolin-5-ylmethyl]hydrazine
CID 105335484

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine (CID 105182118) is (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1cccnc1OC.
What is the InChIKey of (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is JVHSVTIFUPAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-7-17-10(8-15-16-17)11(13)9-5-4-6-14-12(9)18-2/h4-6,8,11H,3,7,13H2,1-2H3.
What are the key properties of (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine?
(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105182118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).