3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide

C15H17N7O2 — CID 157440726

IUPAC3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide
SMILES[H]/N=C(\N)c1cnc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1
InChIInChI=1S/C15H17N7O2/c16-13(17)12-9-18-15(21-20-12)19-11-3-1-10(2-4-11)14(23)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H3,16,17)(H,18,19,21)
InChIKeyHCARBFGLOPRVRZ-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.37
Rot. Bonds4

About 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide

3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide (PubChem CID 157440726) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide.

Molecular Properties

Compound Name3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide
PubChem CID157440726
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide
SMILES[H]/N=C(\N)c1cnc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1
InChIInChI=1S/C15H17N7O2/c16-13(17)12-9-18-15(21-20-12)19-11-3-1-10(2-4-11)14(23)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H3,16,17)(H,18,19,21)
InChIKeyHCARBFGLOPRVRZ-UHFFFAOYSA-N
XLogP0.37
TPSA130.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109252166
[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252130
3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 144857846
4-[4-(4-methylpiperazin-1-yl)anilino]-2-[4-(morpholine-4-carbonyl)anilino]pyrimidine-5-carboxamide
CID 177309965
3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide
CID 150340963
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]-1,2,4-triazine-6-carboximidamide
CID 150799064
N-[(3R)-1-[6-carbamimidoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]pyrrolidine-1-carboxamide
CID 150788725
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
[4-[2-(4-amino-3-methanimidoylanilino)-1,3-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 89344364
morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261
4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
CID 18382168

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide?
The IUPAC name of 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide (CID 157440726) is 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide.
What is the SMILES notation for 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide?
The canonical SMILES for 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide is [H]/N=C(\N)c1cnc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1.
What is the InChIKey of 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide?
The InChIKey is HCARBFGLOPRVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c16-13(17)12-9-18-15(21-20-12)19-11-3-1-10(2-4-11)14(23)22-5-7-24-8-6-22/h1-4,9H,5-8H2,(H3,16,17)(H,18,19,21).
What are the key properties of 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide?
3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide has a molecular weight of 327.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide is sourced from PubChem (CID 157440726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).