2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile

C12H9N5 — CID 168542374

IUPAC2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile
SMILESCn1cc2cccc(NC=C(C#N)C#N)c2n1
InChIInChI=1S/C12H9N5/c1-17-8-10-3-2-4-11(12(10)16-17)15-7-9(5-13)6-14/h2-4,7-8,15H,1H3
InChIKeyCBMIFZFGQMTBBF-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.92
Rot. Bonds2

About 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile

2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile (PubChem CID 168542374) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile
PubChem CID168542374
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile
SMILESCn1cc2cccc(NC=C(C#N)C#N)c2n1
InChIInChI=1S/C12H9N5/c1-17-8-10-3-2-4-11(12(10)16-17)15-7-9(5-13)6-14/h2-4,7-8,15H,1H3
InChIKeyCBMIFZFGQMTBBF-UHFFFAOYSA-N
XLogP1.92
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1-methylbenzotriazol-4-yl)amino]methylidene]propanedinitrile
CID 168542535
2-[[(3-bromo-1-methylindazol-7-yl)amino]methylidene]propanedinitrile
CID 168544790
2-[[3-(4-bromo-1-methylpyrazol-3-yl)anilino]methylidene]propanedinitrile
CID 168545117
2-[[3-(1H-benzimidazol-2-yl)-2-methylanilino]methylidene]propanedinitrile
CID 168544141
2-[(pyren-1-ylamino)methylidene]propanedinitrile
CID 101403692
2-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]propanedinitrile
CID 168544011
4-methyl-N-(2-methylindazol-7-yl)benzenesulfonamide
CID 169370772
2-[(2-bromoanilino)methylidene]propanedinitrile
CID 17134938
7-bromo-2-methylindazole;ethane
CID 155591280
2-[[(9,10-dioxoanthracen-1-yl)amino]methylidene]propanedinitrile
CID 4530845
2-[(3-chloro-2-fluoroanilino)methylidene]propanedinitrile
CID 168511616
2-[[2-(1-hydroxyethyl)anilino]methylidene]propanedinitrile
CID 168541764

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile?
The IUPAC name of 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile (CID 168542374) is 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile?
The canonical SMILES for 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile is Cn1cc2cccc(NC=C(C#N)C#N)c2n1.
What is the InChIKey of 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile?
The InChIKey is CBMIFZFGQMTBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-17-8-10-3-2-4-11(12(10)16-17)15-7-9(5-13)6-14/h2-4,7-8,15H,1H3.
What are the key properties of 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile?
2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile has a molecular weight of 223.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylindazol-7-yl)amino]methylidene]propanedinitrile is sourced from PubChem (CID 168542374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).