N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen

C19H21F2N5O2 — CID 159036153

IUPACN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen
SMILESCc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)nc(OC2CCCOC2)c1.[H][H]
InChIInChI=1S/C19H19F2N5O2.H2/c1-12-5-17(23-18(6-12)28-16-3-2-4-27-10-16)24-19-22-11-26(25-19)15-8-13(20)7-14(21)9-15;/h5-9,11,16H,2-4,10H2,1H3,(H,23,24,25);1H
InChIKeyJVMDVAAVBXVGPN-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.80
Rot. Bonds5

About N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen

N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen (PubChem CID 159036153) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen
PubChem CID159036153
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen
SMILESCc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)nc(OC2CCCOC2)c1.[H][H]
InChIInChI=1S/C19H19F2N5O2.H2/c1-12-5-17(23-18(6-12)28-16-3-2-4-27-10-16)24-19-22-11-26(25-19)15-8-13(20)7-14(21)9-15;/h5-9,11,16H,2-4,10H2,1H3,(H,23,24,25);1H
InChIKeyJVMDVAAVBXVGPN-UHFFFAOYSA-N
XLogP3.80
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen?
The IUPAC name of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen (CID 159036153) is N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen is Cc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)nc(OC2CCCOC2)c1.[H][H].
What is the InChIKey of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen?
The InChIKey is JVMDVAAVBXVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2.H2/c1-12-5-17(23-18(6-12)28-16-3-2-4-27-10-16)24-19-22-11-26(25-19)15-8-13(20)7-14(21)9-15;/h5-9,11,16H,2-4,10H2,1H3,(H,23,24,25);1H.
What are the key properties of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen?
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen has a molecular weight of 389.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-6-(oxan-3-yloxy)pyridin-2-amine;molecular hydrogen is sourced from PubChem (CID 159036153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).