N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide

C17H15N9O — CID 67773539

IUPACN-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide
SMILESCC(=O)N/N=C(\N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C17H15N9O/c1-10(27)22-23-15(18)14-8-20-16-17(21-14)26(25-24-16)9-11-4-5-13-12(7-11)3-2-6-19-13/h2-8H,9H2,1H3,(H2,18,23)(H,22,27)
InChIKeyMQXKTANQHWFFQG-UHFFFAOYSA-N
MW361.37 g/mol
LogP0.57
Rot. Bonds4

About N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide

N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide (PubChem CID 67773539) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide
PubChem CID67773539
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide
SMILESCC(=O)N/N=C(\N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C17H15N9O/c1-10(27)22-23-15(18)14-8-20-16-17(21-14)26(25-24-16)9-11-4-5-13-12(7-11)3-2-6-19-13/h2-8H,9H2,1H3,(H2,18,23)(H,22,27)
InChIKeyMQXKTANQHWFFQG-UHFFFAOYSA-N
XLogP0.57
TPSA136.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide 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 N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide?
The IUPAC name of N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide (CID 67773539) is N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide.
What is the SMILES notation for N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide?
The canonical SMILES for N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide is CC(=O)N/N=C(\N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide?
The InChIKey is MQXKTANQHWFFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9O/c1-10(27)22-23-15(18)14-8-20-16-17(21-14)26(25-24-16)9-11-4-5-13-12(7-11)3-2-6-19-13/h2-8H,9H2,1H3,(H2,18,23)(H,22,27).
What are the key properties of N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide?
N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide has a molecular weight of 361.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[amino-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methylidene]amino]acetamide is sourced from PubChem (CID 67773539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).