2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile

C14H18N4 — CID 55040884

IUPAC2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCn1ncc2ccccc21
InChIInChI=1S/C14H18N4/c1-3-16-14(2,11-15)8-9-18-13-7-5-4-6-12(13)10-17-18/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyLQROVYQOKIOPJH-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.32
Rot. Bonds5

About 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile

2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile (PubChem CID 55040884) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile
PubChem CID55040884
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCn1ncc2ccccc21
InChIInChI=1S/C14H18N4/c1-3-16-14(2,11-15)8-9-18-13-7-5-4-6-12(13)10-17-18/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyLQROVYQOKIOPJH-UHFFFAOYSA-N
XLogP2.32
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile?
The IUPAC name of 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile (CID 55040884) is 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile is CCNC(C)(C#N)CCn1ncc2ccccc21.
What is the InChIKey of 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile?
The InChIKey is LQROVYQOKIOPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-16-14(2,11-15)8-9-18-13-7-5-4-6-12(13)10-17-18/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile?
2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile has a molecular weight of 242.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-indazol-1-yl-2-methylbutanenitrile is sourced from PubChem (CID 55040884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).