N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine

C15H21N5O — CID 169179435

IUPACN-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
SMILESCCNc1cc(C2(Cc3nncn3C)COC2)cc(C)n1
InChIInChI=1S/C15H21N5O/c1-4-16-13-6-12(5-11(2)18-13)15(8-21-9-15)7-14-19-17-10-20(14)3/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyPPRDPBOUEMIEQY-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.46
Rot. Bonds5

About N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine

N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine (PubChem CID 169179435) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
PubChem CID169179435
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine
SMILESCCNc1cc(C2(Cc3nncn3C)COC2)cc(C)n1
InChIInChI=1S/C15H21N5O/c1-4-16-13-6-12(5-11(2)18-13)15(8-21-9-15)7-14-19-17-10-20(14)3/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyPPRDPBOUEMIEQY-UHFFFAOYSA-N
XLogP1.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine (CID 169179435) is N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine is CCNc1cc(C2(Cc3nncn3C)COC2)cc(C)n1.
What is the InChIKey of N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine?
The InChIKey is PPRDPBOUEMIEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-16-13-6-12(5-11(2)18-13)15(8-21-9-15)7-14-19-17-10-20(14)3/h5-6,10H,4,7-9H2,1-3H3,(H,16,18).
What are the key properties of N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine?
N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]pyridin-2-amine is sourced from PubChem (CID 169179435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).