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

C18H19N7O2 — CID 56593686

IUPAC[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(Nc2cccc(C(=O)N3CCOCC3)c2)nn1-c1ccccn1
InChIInChI=1S/C18H19N7O2/c19-17-22-18(23-25(17)15-6-1-2-7-20-15)21-14-5-3-4-13(12-14)16(26)24-8-10-27-11-9-24/h1-7,12H,8-11H2,(H3,19,21,22,23)
InChIKeyVBBRNWQCPHQDID-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.46
Rot. Bonds4

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

[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 56593686) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID56593686
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name[3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(Nc2cccc(C(=O)N3CCOCC3)c2)nn1-c1ccccn1
InChIInChI=1S/C18H19N7O2/c19-17-22-18(23-25(17)15-6-1-2-7-20-15)21-14-5-3-4-13(12-14)16(26)24-8-10-27-11-9-24/h1-7,12H,8-11H2,(H3,19,21,22,23)
InChIKeyVBBRNWQCPHQDID-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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Related Compounds

CID 11494718
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CID 56593682
CID 56593682
CID 118043323
CID 118043323
CID 24768568
CID 24768568
CID 46879877
CID 46879877
CID 56593685
CID 56593685
CID 59244527
CID 59244527
CID 60154734
CID 60154734
CID 72950975
CID 72950975
CID 137367200
CID 137367200
CID 137634643
CID 137634643

Frequently Asked Questions

What is the IUPAC name of [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 56593686) is [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone is Nc1nc(Nc2cccc(C(=O)N3CCOCC3)c2)nn1-c1ccccn1.
What is the InChIKey of [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VBBRNWQCPHQDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c19-17-22-18(23-25(17)15-6-1-2-7-20-15)21-14-5-3-4-13(12-14)16(26)24-8-10-27-11-9-24/h1-7,12H,8-11H2,(H3,19,21,22,23).
What are the key properties of [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
[3-[(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 [3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56593686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).