2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile

C16H11N7 — CID 169340210

IUPAC2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1ccn2cc(-c3ccc(NN=C(C#N)C#N)cc3)nc2n1
InChIInChI=1S/C16H11N7/c1-11-6-7-23-10-15(20-16(23)19-11)12-2-4-13(5-3-12)21-22-14(8-17)9-18/h2-7,10,21H,1H3
InChIKeyUGHHTEZQDHTFAR-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.52
Rot. Bonds3

About 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340210) has the molecular formula C16H11N7 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340210
Molecular FormulaC16H11N7
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1ccn2cc(-c3ccc(NN=C(C#N)C#N)cc3)nc2n1
InChIInChI=1S/C16H11N7/c1-11-6-7-23-10-15(20-16(23)19-11)12-2-4-13(5-3-12)21-22-14(8-17)9-18/h2-7,10,21H,1H3
InChIKeyUGHHTEZQDHTFAR-UHFFFAOYSA-N
XLogP2.52
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'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 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340210) is 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile is Cc1ccn2cc(-c3ccc(NN=C(C#N)C#N)cc3)nc2n1.
What is the InChIKey of 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is UGHHTEZQDHTFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7/c1-11-6-7-23-10-15(20-16(23)19-11)12-2-4-13(5-3-12)21-22-14(8-17)9-18/h2-7,10,21H,1H3.
What are the key properties of 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 301.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).