(1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine

C10H13N5O — CID 106597516

IUPAC(1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ncn(C)n2)nc1
InChIInChI=1S/C10H13N5O/c1-7(11)8-3-4-9(12-5-8)16-10-13-6-15(2)14-10/h3-7H,11H2,1-2H3/t7-/m1/s1
InChIKeyKOTKQIGRNHSUOR-SSDOTTSWSA-N
MW219.25 g/mol
LogP1.02
Rot. Bonds3

About (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine

(1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine (PubChem CID 106597516) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine
PubChem CID106597516
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name(1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2ncn(C)n2)nc1
InChIInChI=1S/C10H13N5O/c1-7(11)8-3-4-9(12-5-8)16-10-13-6-15(2)14-10/h3-7H,11H2,1-2H3/t7-/m1/s1
InChIKeyKOTKQIGRNHSUOR-SSDOTTSWSA-N
XLogP1.02
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine (CID 106597516) is (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine is C[C@@H](N)c1ccc(Oc2ncn(C)n2)nc1.
What is the InChIKey of (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine?
The InChIKey is KOTKQIGRNHSUOR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(11)8-3-4-9(12-5-8)16-10-13-6-15(2)14-10/h3-7H,11H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine?
(1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine has a molecular weight of 219.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine is sourced from PubChem (CID 106597516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).