7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H21FN6O — CID 177003686

IUPAC7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILES[H]/N=C(C)/C(=C(/C)N)c1ccn2nc(NC3CCOCC3F)nc2c1
InChIInChI=1S/C16H21FN6O/c1-9(18)15(10(2)19)11-3-5-23-14(7-11)21-16(22-23)20-13-4-6-24-8-12(13)17/h3,5,7,12-13,18H,4,6,8,19H2,1-2H3,(H,20,22)/b15-10+,18-9+
InChIKeyYSRMEVGHALFDSI-VUCXEJNMSA-N
MW332.38 g/mol
LogP2.00
Rot. Bonds4

About 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 177003686) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID177003686
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILES[H]/N=C(C)/C(=C(/C)N)c1ccn2nc(NC3CCOCC3F)nc2c1
InChIInChI=1S/C16H21FN6O/c1-9(18)15(10(2)19)11-3-5-23-14(7-11)21-16(22-23)20-13-4-6-24-8-12(13)17/h3,5,7,12-13,18H,4,6,8,19H2,1-2H3,(H,20,22)/b15-10+,18-9+
InChIKeyYSRMEVGHALFDSI-VUCXEJNMSA-N
XLogP2.00
TPSA101.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 177003686) is 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is [H]/N=C(C)/C(=C(/C)N)c1ccn2nc(NC3CCOCC3F)nc2c1.
What is the InChIKey of 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YSRMEVGHALFDSI-VUCXEJNMSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-9(18)15(10(2)19)11-3-5-23-14(7-11)21-16(22-23)20-13-4-6-24-8-12(13)17/h3,5,7,12-13,18H,4,6,8,19H2,1-2H3,(H,20,22)/b15-10+,18-9+.
What are the key properties of 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 332.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(3-fluorooxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 177003686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).