[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone

C18H19N7O2 — CID 56593685

IUPAC[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C18H19N7O2/c19-17-22-18(23-25(17)15-3-1-2-8-20-15)21-14-6-4-13(5-7-14)16(26)24-9-11-27-12-10-24/h1-8H,9-12H2,(H3,19,21,22,23)
InChIKeyWCDZEMSHEVLSFK-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.46
Rot. Bonds4

About [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone

[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 56593685) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID56593685
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C18H19N7O2/c19-17-22-18(23-25(17)15-3-1-2-8-20-15)21-14-6-4-13(5-7-14)16(26)24-9-11-27-12-10-24/h1-8H,9-12H2,(H3,19,21,22,23)
InChIKeyWCDZEMSHEVLSFK-UHFFFAOYSA-N
XLogP1.46
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 56593685) is [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone is Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1-c1ccccn1.
What is the InChIKey of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is WCDZEMSHEVLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c19-17-22-18(23-25(17)15-3-1-2-8-20-15)21-14-6-4-13(5-7-14)16(26)24-9-11-27-12-10-24/h1-8H,9-12H2,(H3,19,21,22,23).
What are the key properties of [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 365.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56593685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).