[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea

C17H15N9O — CID 71699909

IUPAC[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C17H15N9O/c1-10(22-24-17(18)27)14-8-20-15-16(21-14)26(25-23-15)9-11-4-5-13-12(7-11)3-2-6-19-13/h2-8H,9H2,1H3,(H3,18,24,27)/b22-10+
InChIKeyUNCRNMIHBYRLGB-LSHDLFTRSA-N
MW361.37 g/mol
LogP1.21
Rot. Bonds4

About [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea

[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea (PubChem CID 71699909) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea
PubChem CID71699909
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C17H15N9O/c1-10(22-24-17(18)27)14-8-20-15-16(21-14)26(25-23-15)9-11-4-5-13-12(7-11)3-2-6-19-13/h2-8H,9H2,1H3,(H3,18,24,27)/b22-10+
InChIKeyUNCRNMIHBYRLGB-LSHDLFTRSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea?
The IUPAC name of [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea (CID 71699909) is [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea.
What is the SMILES notation for [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea?
The canonical SMILES for [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea is C/C(=N\NC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea?
The InChIKey is UNCRNMIHBYRLGB-LSHDLFTRSA-N. The full InChI is InChI=1S/C17H15N9O/c1-10(22-24-17(18)27)14-8-20-15-16(21-14)26(25-23-15)9-11-4-5-13-12(7-11)3-2-6-19-13/h2-8H,9H2,1H3,(H3,18,24,27)/b22-10+.
What are the key properties of [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea?
[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea has a molecular weight of 361.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea is sourced from PubChem (CID 71699909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).